 | | X5R | | Name: | methyl (2E)-3-{(4Z)-4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl}prop-2-enoate | | Formula: | C15 H12 F2 N2 O4 | | SMILES: | O=C1C(=Cc2cc(F)c(O)c(F)c2)N=C(/C=C/C(=O)OC)N1C | | InChi: | InChI=1S/C15H12F2N2O4/c1-19-12(3-4-13(20)23-2)18-11(15(19)22)7-8-5-9(16)14(21)10(17)6-8/h3-7,21H,1-2H3/b4-3+,11-7- | | Definition date: | 2022-10-31 | | Last modified: | 2023-05-05 | | Release date: | 2023-05-10 | | Identifier: | methyl (2E)-3-{(4Z)-4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl}prop-2-enoate |
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 | | Z8O | | Name: | 4-{4-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]phenyl}phthalazin-1(2H)-one | | Formula: | C24 H19 N3 O2 | | SMILES: | O=C(Cc1ccc(cc1)C1=NNC(=O)c2ccccc21)N1CCc2ccccc21 | | InChi: | InChI=1S/C24H19N3O2/c28-22(27-14-13-17-5-1-4-8-21(17)27)15-16-9-11-18(12-10-16)23-19-6-2-3-7-20(19)24(29)26-25-23/h1-12H,13-15H2,(H,26,29) | | Definition date: | 2023-03-07 | | Last modified: | 2023-05-05 | | Release date: | 2023-05-10 | | Identifier: | 4-{4-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]phenyl}phthalazin-1(2H)-one |
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 | | UQC | | Name: | Cortisone | | Formula: | C21 H28 O5 | | SMILES: | C[C]12CCC(=O)C=C1CC[CH]3[CH]4CC[C](O)(C(=O)CO)[C]4(C)CC(=O)[CH]23 | | InChi: | InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1 | | Synonyms: | (8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-oxidanyl-17-(2-oxidanylethanoyl)-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione | | Definition date: | 2023-02-08 | | Last modified: | 2023-05-05 | | Release date: | 2023-05-10 | | Identifier: | (8~{S},9~{S},10~{R},13~{S},14~{S},17~{R})-10,13-dimethyl-17-oxidanyl-17-(2-oxidanylethanoyl)-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione |
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 | | T8E | | Name: | ~{N}-(4-ethanoylphenyl)-2-sulfanyl-propanamide | | Formula: | C11 H13 N O2 S | | SMILES: | C[CH](S)C(=O)Nc1ccc(cc1)C(C)=O | | InChi: | InChI=1S/C11H13NO2S/c1-7(13)9-3-5-10(6-4-9)12-11(14)8(2)15/h3-6,8,15H,1-2H3,(H,12,14)/t8-/m0/s1 | | Definition date: | 2020-12-17 | | Last modified: | 2023-05-05 | | Release date: | 2023-05-10 | | Identifier: | ~{N}-(4-ethanoylphenyl)-2-sulfanyl-propanamide |
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 | | KO3 | | Name: | [(1~{S},4~{S},5~{S})-4-[2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl]-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol | | Formula: | C27 H42 O3 | | SMILES: | CCCCCCC(C)(C)c1cc(OC)c([CH]2C=C(CO)[CH]3C[CH]2C3(C)C)c(OC)c1 | | InChi: | InChI=1S/C27H42O3/c1-8-9-10-11-12-26(2,3)19-14-23(29-6)25(24(15-19)30-7)20-13-18(17-28)21-16-22(20)27(21,4)5/h13-15,20-22,28H,8-12,16-17H2,1-7H3/t20-,21+,22-/m0/s1 | | Definition date: | 2022-10-03 | | Last modified: | 2023-05-05 | | Release date: | 2023-05-10 | | Identifier: | [(1~{S},4~{S},5~{S})-4-[2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl]-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol |
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 | | KO8 | | Name: | 1-[[4-[5-fluoranyl-6-[(oxan-4-ylamino)methyl]pyridin-2-yl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione | | Formula: | C25 H31 F N4 O3 | | SMILES: | CC(C)CN1C(=O)CN(Cc2ccc(cc2)c3ccc(F)c(CNC4CCOCC4)n3)C1=O | | InChi: | InChI=1S/C25H31FN4O3/c1-17(2)14-30-24(31)16-29(25(30)32)15-18-3-5-19(6-4-18)22-8-7-21(26)23(28-22)13-27-20-9-11-33-12-10-20/h3-8,17,20,27H,9-16H2,1-2H3 | | Definition date: | 2022-10-03 | | Last modified: | 2023-05-05 | | Release date: | 2023-05-10 | | Identifier: | 1-[[4-[5-fluoranyl-6-[(oxan-4-ylamino)methyl]pyridin-2-yl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione |
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 | | SF0 | | Name: | [5-(5,6-dimethyl-1H-benzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl 1-{3-[3,14,19-tris(2-amino-2-oxoethyl)-8,13,18-tris(3-amino-3-oxopropyl)-1,4,6,9,9,14,16,19-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1~2,5~.1~7,10~.1~12,15~]tricosa-5(23),6,10,12(21),15,17(20)-hexaen-4-yl-kappa~4~N~20~,N~21~,N~22~,N~23~]propanamido}propan-2-yl hydrogenato phosphate]rhodium (non-preferred name) | | Formula: | C62 H89 N13 O14 P Rh | | SMILES: | Cc1cc2ncn(c2cc1C)C1OC(CO)C(OP(=O)(O)OC(C)CNC(=O)CCC2(C)C(CC(N)=O)C3N4=C2C(C)=C2C(CCC(N)=O)C(C)(C)C5=CC6=N7C(=C(C)C=8C(CCC(N)=O)C(C)(CC(N)=O)C3(C)N=8[Rh]74N52)C(C)(CC(N)=O)C6CCC(N)=O)C1O | | InChi: | InChI=1S/C62H90N13O14P.Rh/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56 | | Definition date: | 2022-07-01 | | Last modified: | 2023-05-05 | | Release date: | 2023-05-10 | | Identifier: | [5-(5,6-dimethyl-1H-benzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl 1-{3-[3,14,19-tris(2-amino-2-oxoethyl)-8,13,18-tris(3-amino-3-oxopropyl)-1,4,6,9,9,14,16,19-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1~2,5~.1~7,10~.1~12,15~]tricosa-5(23),6,10,12(21),15,17(20)-hexaen-4-yl-kappa~4~N~20~,N~21~,N~22~,N~23~]propanamido}propan-2-yl hydrogenato phosphate]rhodium (non-preferred name) |
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 | | LD3 | | Name: | meta-carboran-propylsulfonamid | | Formula: | C5 H8 B10 N O2 S | | SMILES: | N[S](=O)(=O)CCC[C]1234[B]567[B]89%10[B]5%11%12[B]8%13%14[B]9%15%16[B]16%10[B]2%15%17[B]3%18%19[B]%11%13([B]47%12%18)[C]%14%16%17%19 | | InChi: | InChI=1S/C5H8B10NO2S/c16-19(17,18)3-1-2-5-6-4-7(5,6)9(4)10(4)8(4,6)11(5,6)13(5)12(5,7,9)15(9,10,13)14(8,10,11)13/h1-3H2,(H2,16,17,18) | | Definition date: | 2022-06-30 | | Last modified: | 2023-05-05 | | Release date: | 2023-05-10 |
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 | | CWI | | Name: | [(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl] [(2~{S},3~{R},4~{R})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl] hydrogen phosphate | | Formula: | C10 H25 O18 P3 | | SMILES: | O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)CO[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O | | InChi: | InChI=1S/C10H25O18P3/c11-5(1-25-29(17,18)19)9(15)7(13)3-27-31(23,24)28-4-8(14)10(16)6(12)2-26-30(20,21)22/h5-16H,1-4H2,(H,23,24)(H2,17,18,19)(H2,20,21,22)/t5-,6+,7+,8-,9-,10+ | | Definition date: | 2021-12-14 | | Last modified: | 2023-05-05 | | Release date: | 2023-05-10 | | Identifier: | [(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl] [(2~{S},3~{R},4~{R})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl] hydrogen phosphate |
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 | | DVS | | Name: | 5'-S-[3-(N'-benzylcarbamimidamido)propyl]-5'-thioadenosine | | Formula: | C21 H28 N8 O3 S | | SMILES: | N=C(NCc1ccccc1)NCCCSCC1OC(n2cnc3c(N)ncnc32)C(O)C1O | | InChi: | InChI=1S/C21H28N8O3S/c22-18-15-19(27-11-26-18)29(12-28-15)20-17(31)16(30)14(32-20)10-33-8-4-7-24-21(23)25-9-13-5-2-1-3-6-13/h1-3,5-6,11-12,14,16-17,20,30-31H,4,7-10H2,(H2,22,26,27)(H3,23,24,25)/t14-,16-,17-,20-/m1/s1 | | Definition date: | 2023-04-26 | | Last modified: | 2023-05-05 | | Release date: | 2023-05-10 | | Identifier: | 5'-S-[3-(N'-benzylcarbamimidamido)propyl]-5'-thioadenosine |
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 | | 8IJ | | Name: | (2R)-3-{[(R)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctadecanoate | | Formula: | C45 H87 O13 P | | SMILES: | OP(=O)(OC1C(O)C(O)C(O)C(O)C1O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C45H87O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,40-45,48-52H,3-36H2,1-2H3,(H,53,54)/t37-,40-,41-,42+,43-,44-,45-/m1/s1 | | Definition date: | 2023-04-20 | | Last modified: | 2023-05-05 | | Release date: | 2023-05-10 | | Identifier: | (2R)-3-{[(R)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctadecanoate |
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 | | I3H | | Name: | 9-[2-(3,4-dichlorophenyl)ethyl]-2-(3-hydroxyphenyl)-8-oxidanylidene-7~{H}-purine-6-carboxamide | | Formula: | C20 H15 Cl2 N5 O3 | | SMILES: | NC(=O)c1nc(nc2N(CCc3ccc(Cl)c(Cl)c3)C(=O)Nc12)c4cccc(O)c4 | | InChi: | InChI=1S/C20H15Cl2N5O3/c21-13-5-4-10(8-14(13)22)6-7-27-19-16(25-20(27)30)15(17(23)29)24-18(26-19)11-2-1-3-12(28)9-11/h1-5,8-9,28H,6-7H2,(H2,23,29)(H,25,30) | | Definition date: | 2022-02-10 | | Last modified: | 2023-05-05 | | Release date: | 2023-05-10 | | Identifier: | 9-[2-(3,4-dichlorophenyl)ethyl]-2-(3-hydroxyphenyl)-8-oxidanylidene-7~{H}-purine-6-carboxamide |
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 | | JFI | | Name: | ~{N}-(2-morpholin-4-ylethyl)-4-(pyridin-4-ylmethyl)benzamide | | Formula: | C19 H23 N3 O2 | | SMILES: | O=C(NCCN1CCOCC1)c2ccc(Cc3ccncc3)cc2 | | InChi: | InChI=1S/C19H23N3O2/c23-19(21-9-10-22-11-13-24-14-12-22)18-3-1-16(2-4-18)15-17-5-7-20-8-6-17/h1-8H,9-15H2,(H,21,23) | | Definition date: | 2022-04-26 | | Last modified: | 2023-05-05 | | Release date: | 2023-05-10 | | Identifier: | ~{N}-(2-morpholin-4-ylethyl)-4-(pyridin-4-ylmethyl)benzamide |
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 | | JI6 | | Name: | (6~{S})-6-[(1~{R})-1-oxidanylethyl]-2,4-dioxa-7$l^{4}-aza-3$l^{3}-cupratricyclo[7.4.0.0^{3,7}]trideca-1(13),7,9,11-tetraen-5-one | | Formula: | C11 H11 Cu N O4 | | SMILES: | C[CH](O)[CH]1N=Cc2ccccc2O[Cu]OC1=O | | InChi: | InChI=1S/C11H13NO4.Cu/c1-7(13)10(11(15)16)12-6-8-4-2-3-5-9(8)14 | | Definition date: | 2022-08-16 | | Last modified: | 2023-05-05 | | Release date: | 2023-05-10 | | Identifier: | (6~{S})-6-[(1~{R})-1-oxidanylethyl]-2,4-dioxa-7$l^{4}-aza-3$l^{3}-cupratricyclo[7.4.0.0^{3,7}]trideca-1(13),7,9,11-tetraen-5-one |
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 | | VMH | | Name: | (4M)-N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4-(1-methyl-1H-pyrazol-5-yl)-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide | | Formula: | C29 H24 F6 N4 O2 | | SMILES: | Cn1nccc1c1cc(C(=O)NC(c2cccc(c2)C(F)(F)F)C(=O)N(C)C)c(cc1)c1ccc(cc1)C(F)(F)F | | InChi: | InChI=1S/C29H24F6N4O2/c1-38(2)27(41)25(19-5-4-6-21(15-19)29(33,34)35)37-26(40)23-16-18(24-13-14-36-39(24)3)9-12-22(23)17-7-10-20(11-8-17)28(30,31)32/h4-16,25H,1-3H3,(H,37,40)/t25-/m0/s1 | | Definition date: | 2022-09-02 | | Last modified: | 2023-04-28 | | Release date: | 2023-05-03 | | Identifier: | (4M)-N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4-(1-methyl-1H-pyrazol-5-yl)-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide |
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 | | VML | | Name: | N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide | | Formula: | C24 H19 F6 N3 O2 | | SMILES: | O=C(NC(c1cccc(c1)C(F)(F)F)C(=O)N(C)C)c1cnccc1c1ccc(cc1)C(F)(F)F | | InChi: | InChI=1S/C24H19F6N3O2/c1-33(2)22(35)20(15-4-3-5-17(12-15)24(28,29)30)32-21(34)19-13-31-11-10-18(19)14-6-8-16(9-7-14)23(25,26)27/h3-13,20H,1-2H3,(H,32,34)/t20-/m0/s1 | | Definition date: | 2022-09-02 | | Last modified: | 2023-04-28 | | Release date: | 2023-05-03 | | Identifier: | N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide |
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 | | VMQ | | Name: | N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-(dimethylamino)-2-oxoethyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide | | Formula: | C25 H18 F9 N3 O2 | | SMILES: | O=C(NC(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)N(C)C)c1cnccc1c1ccc(cc1)C(F)(F)F | | InChi: | InChI=1S/C25H18F9N3O2/c1-37(2)22(39)20(14-9-16(24(29,30)31)11-17(10-14)25(32,33)34)36-21(38)19-12-35-8-7-18(19)13-3-5-15(6-4-13)23(26,27)28/h3-12,20H,1-2H3,(H,36,38)/t20-/m0/s1 | | Definition date: | 2022-09-02 | | Last modified: | 2023-04-28 | | Release date: | 2023-05-03 | | Identifier: | N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-(dimethylamino)-2-oxoethyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide |
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 | | OD6 | | Name: | 4-[4-(phenylmethyl)phenyl]-1,3-selenazol-2-amine | | Formula: | C16 H14 N2 Se | | SMILES: | Nc1[se]cc(n1)c2ccc(Cc3ccccc3)cc2 | | InChi: | InChI=1S/C16H14N2Se/c17-16-18-15(11-19-16)14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,17,18) | | Synonyms: | 4-(4-Benzylphenyl)-selenazol-2-amine | | Definition date: | 2022-09-05 | | Last modified: | 2023-04-28 | | Release date: | 2023-05-03 | | Identifier: | 4-[4-(phenylmethyl)phenyl]-1,3-selenazol-2-amine |
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 | | VMW | | Name: | N-{(1S)-2-(dimethylamino)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxoethyl}-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide | | Formula: | C25 H21 F6 N3 O2 | | SMILES: | O=C(NC(c1cc(C)cc(c1)C(F)(F)F)C(=O)N(C)C)c1cnccc1c1ccc(cc1)C(F)(F)F | | InChi: | InChI=1S/C25H21F6N3O2/c1-14-10-16(12-18(11-14)25(29,30)31)21(23(36)34(2)3)33-22(35)20-13-32-9-8-19(20)15-4-6-17(7-5-15)24(26,27)28/h4-13,21H,1-3H3,(H,33,35)/t21-/m0/s1 | | Definition date: | 2022-09-02 | | Last modified: | 2023-04-28 | | Release date: | 2023-05-03 | | Identifier: | N-{(1S)-2-(dimethylamino)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxoethyl}-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide |
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 | | VN2 | | Name: | N-[(1S)-2-oxo-1-[3-(trifluoromethyl)phenyl]-2-({4-[4-(trifluoromethyl)phenyl]pyridin-3-yl}amino)ethyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide | | Formula: | C34 H21 F9 N4 O2 | | SMILES: | O=C(Nc1cnccc1c1ccc(cc1)C(F)(F)F)C(NC(=O)c1cnccc1c1ccc(cc1)C(F)(F)F)c1cccc(c1)C(F)(F)F | | InChi: | InChI=1S/C34H21F9N4O2/c35-32(36,37)22-8-4-19(5-9-22)25-12-14-44-17-27(25)30(48)47-29(21-2-1-3-24(16-21)34(41,42)43)31(49)46-28-18-45-15-13-26(28)20-6-10-23(11-7-20)33(38,39)40/h1-18,29H,(H,46,49)(H,47,48)/t29-/m0/s1 | | Definition date: | 2022-09-02 | | Last modified: | 2023-04-28 | | Release date: | 2023-05-03 | | Identifier: | N-[(1S)-2-oxo-1-[3-(trifluoromethyl)phenyl]-2-({4-[4-(trifluoromethyl)phenyl]pyridin-3-yl}amino)ethyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide |
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 | | VN8 | | Name: | (3S,5aS,8aR)-3-benzyl-6-[(3,5-dichlorophenyl)methyl]-1,4-dimethyloctahydropyrrolo[3,2-e][1,4]diazepine-2,5-dione | | Formula: | C23 H25 Cl2 N3 O2 | | SMILES: | Clc1cc(cc(Cl)c1)CN1CCC2N(C)C(=O)C(Cc3ccccc3)N(C)C(=O)C21 | | InChi: | InChI=1S/C23H25Cl2N3O2/c1-26-19-8-9-28(14-16-10-17(24)13-18(25)11-16)21(19)23(30)27(2)20(22(26)29)12-15-6-4-3-5-7-15/h3-7,10-11,13,19-21H,8-9,12,14H2,1-2H3/t19-,20+,21+/m1/s1 | | Definition date: | 2022-09-02 | | Last modified: | 2023-04-28 | | Release date: | 2023-05-03 | | Identifier: | (3S,5aS,8aR)-3-benzyl-6-[(3,5-dichlorophenyl)methyl]-1,4-dimethyloctahydropyrrolo[3,2-e][1,4]diazepine-2,5-dione |
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 | | Y43 | | Name: | 2'-deoxyinosine 5'-triphosphate | | Formula: | C10 H15 N4 O13 P3 | | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(CC1O)n1cnc2c1NC=NC2=O | | InChi: | InChI=1S/C10H15N4O13P3/c15-5-1-7(14-4-13-8-9(14)11-3-12-10(8)16)25-6(5)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,15H,1-2H2,(H,20,21)(H,22,23)(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1 | | Definition date: | 2023-01-03 | | Last modified: | 2023-04-28 | | Release date: | 2023-05-03 | | Identifier: | 2'-deoxyinosine 5'-(tetrahydrogen triphosphate) |
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 | | KTF | | Name: | (3R)-1-[(8S)-5-(4-cyclohexylphenyl)-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonyl]pyrrolidine-3-carbonitrile | | Formula: | C24 H25 N5 O2 | | SMILES: | N#CC1CCN(C1)C(=O)c1cnn2C(=O)C=C(Nc12)c1ccc(cc1)C1CCCCC1 | | InChi: | InChI=1S/C24H25N5O2/c25-13-16-10-11-28(15-16)24(31)20-14-26-29-22(30)12-21(27-23(20)29)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h6-9,12,14,16-17,27H,1-5,10-11,15H2/t16-/m0/s1 | | Definition date: | 2022-02-15 | | Last modified: | 2023-04-28 | | Release date: | 2023-05-03 | | Identifier: | (3R)-1-[(8S)-5-(4-cyclohexylphenyl)-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonyl]pyrrolidine-3-carbonitrile |
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 | | KUI | | Name: | ethyl (8S)-7-oxo-5-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate | | Formula: | C16 H12 F3 N3 O3 | | SMILES: | FC(F)(F)c1ccc(cc1)C1=CC(=O)n2ncc(c2N1)C(=O)OCC | | InChi: | InChI=1S/C16H12F3N3O3/c1-2-25-15(24)11-8-20-22-13(23)7-12(21-14(11)22)9-3-5-10(6-4-9)16(17,18)19/h3-8,21H,2H2,1H3 | | Definition date: | 2022-02-15 | | Last modified: | 2023-04-28 | | Release date: | 2023-05-03 | | Identifier: | ethyl (8S)-7-oxo-5-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate |
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 | | KUR | | Name: | (8S)-5-(4-cyclohexylphenyl)-3-[3-(fluoromethyl)azetidine-1-carbonyl]-2-(3-methylpyrazin-2-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one | | Formula: | C28 H29 F N6 O2 | | SMILES: | FCC1CN(C1)C(=O)c1c2NC(=CC(=O)n2nc1c1nccnc1C)c1ccc(cc1)C1CCCCC1 | | InChi: | InChI=1S/C28H29FN6O2/c1-17-25(31-12-11-30-17)26-24(28(37)34-15-18(14-29)16-34)27-32-22(13-23(36)35(27)33-26)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h7-13,18-19,32H,2-6,14-16H2,1H3 | | Definition date: | 2022-02-15 | | Last modified: | 2023-04-28 | | Release date: | 2023-05-03 | | Identifier: | (8S)-5-(4-cyclohexylphenyl)-3-[3-(fluoromethyl)azetidine-1-carbonyl]-2-(3-methylpyrazin-2-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one |
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