| IVY | Name: | 3-[1-(2-fluorophenyl)-1H-pyrazol-5-yl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1H)-one | Formula: | C20 H12 F4 N4 O | SMILES: | FC(F)(F)c1cc(ccc1)N1C=CC(=O)C(=N1)c1ccnn1c1ccccc1F | InChi: | InChI=1S/C20H12F4N4O/c21-15-6-1-2-7-16(15)28-17(8-10-25-28)19-18(29)9-11-27(26-19)14-5-3-4-13(12-14)20(22,23)24/h1-12H | Definition date: | 2022-02-01 | Last modified: | 2022-10-07 | Release date: | 2022-10-12 | Identifier: | 3-[1-(2-fluorophenyl)-1H-pyrazol-5-yl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1H)-one |
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| IW9 | Name: | 5-butoxy-4-ethoxypyrimidin-2-amine | Formula: | C10 H17 N3 O2 | SMILES: | Nc1nc(OCC)c(cn1)OCCCC | InChi: | InChI=1S/C10H17N3O2/c1-3-5-6-15-8-7-12-10(11)13-9(8)14-4-2/h7H,3-6H2,1-2H3,(H2,11,12,13) | Definition date: | 2022-02-01 | Last modified: | 2022-10-07 | Release date: | 2022-10-12 | Identifier: | 5-butoxy-4-ethoxypyrimidin-2-amine |
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| IWC | Name: | 2-{(E)-2-[4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]ethenyl}quinoline | Formula: | C20 H20 N4 | SMILES: | Cc1nc(nc(c1)N1CCCC1)/C=C/c1ccc2ccccc2n1 | InChi: | InChI=1S/C20H20N4/c1-15-14-20(24-12-4-5-13-24)23-19(21-15)11-10-17-9-8-16-6-2-3-7-18(16)22-17/h2-3,6-11,14H,4-5,12-13H2,1H3/b11-10+ | Definition date: | 2022-02-01 | Last modified: | 2022-10-07 | Release date: | 2022-10-12 | Identifier: | 2-{(E)-2-[4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]ethenyl}quinoline |
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| IWG | Name: | 5-[(4-chloronaphthalen-1-yl)oxy]-1,2,3-thiadiazole | Formula: | C12 H7 Cl N2 O S | SMILES: | Clc1ccc(Oc2cnns2)c2ccccc21 | InChi: | InChI=1S/C12H7ClN2OS/c13-10-5-6-11(16-12-7-14-15-17-12)9-4-2-1-3-8(9)10/h1-7H | Definition date: | 2022-02-01 | Last modified: | 2022-10-07 | Release date: | 2022-10-12 | Identifier: | 5-[(4-chloronaphthalen-1-yl)oxy]-1,2,3-thiadiazole |
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| IWK | Name: | 4-(azetidine-1-carbonyl)-1-methyl-N-[(4S)-2-(morpholin-4-yl)[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide | Formula: | C18 H21 N9 O3 | SMILES: | O=C(N1CCC1)c1cnn(C)c1C(=O)Nc1cc2nc(nn2cn1)N1CCOCC1 | InChi: | InChI=1S/C18H21N9O3/c1-24-15(12(10-20-24)17(29)25-3-2-4-25)16(28)21-13-9-14-22-18(23-27(14)11-19-13)26-5-7-30-8-6-26/h9-11H,2-8H2,1H3,(H,21,28) | Definition date: | 2022-02-01 | Last modified: | 2022-10-07 | Release date: | 2022-10-12 | Identifier: | 4-(azetidine-1-carbonyl)-1-methyl-N-[(4S)-2-(morpholin-4-yl)[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide |
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| IWN | Name: | 4-(methoxymethyl)-1-methyl-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide | Formula: | C19 H18 N6 O2 | SMILES: | COCc1cnn(C)c1C(=O)Nc1ccn2nc(nc2c1)c1ccccc1 | InChi: | InChI=1S/C19H18N6O2/c1-24-17(14(11-20-24)12-27-2)19(26)21-15-8-9-25-16(10-15)22-18(23-25)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,21,26) | Definition date: | 2022-02-01 | Last modified: | 2022-10-07 | Release date: | 2022-10-12 | Identifier: | 4-(methoxymethyl)-1-methyl-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide |
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| IWS | Name: | (4R,10aP)-imidazo[1,2-c]quinazolin-5(6H)-one | Formula: | C10 H7 N3 O | SMILES: | O=C1Nc2ccccc2c2nccn21 | InChi: | InChI=1S/C10H7N3O/c14-10-12-8-4-2-1-3-7(8)9-11-5-6-13(9)10/h1-6H,(H,12,14) | Definition date: | 2022-02-01 | Last modified: | 2022-10-07 | Release date: | 2022-10-12 | Identifier: | (4R,10aP)-imidazo[1,2-c]quinazolin-5(6H)-one |
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| IWY | Name: | ethyl 1-methyl-5-(propylcarbamoyl)-1H-pyrazole-4-carboxylate | Formula: | C11 H17 N3 O3 | SMILES: | Cn1ncc(C(=O)OCC)c1C(=O)NCCC | InChi: | InChI=1S/C11H17N3O3/c1-4-6-12-10(15)9-8(7-13-14(9)3)11(16)17-5-2/h7H,4-6H2,1-3H3,(H,12,15) | Definition date: | 2022-02-01 | Last modified: | 2022-10-07 | Release date: | 2022-10-12 | Identifier: | ethyl 1-methyl-5-(propylcarbamoyl)-1H-pyrazole-4-carboxylate |
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| IX2 | Name: | 2-{[(4-chloro-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-6,7-dihydro-1H-furo[2,3-f]benzimidazole | Formula: | C17 H16 Cl N3 O S | SMILES: | Cc1c(Cl)c(C)cnc1CSc1nc2cc3OCCc3cc2[NH]1 | InChi: | InChI=1S/C17H16ClN3OS/c1-9-7-19-14(10(2)16(9)18)8-23-17-20-12-5-11-3-4-22-15(11)6-13(12)21-17/h5-7H,3-4,8H2,1-2H3,(H,20,21) | Definition date: | 2022-02-01 | Last modified: | 2022-10-07 | Release date: | 2022-10-12 | Identifier: | 2-{[(4-chloro-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-6,7-dihydro-1H-furo[2,3-f]benzimidazole |
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| IX5 | Name: | 1-methyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]-4-(morpholin-4-yl)-1H-pyrazolo[3,4-d]pyrimidine | Formula: | C21 H23 N7 O2 | SMILES: | Cn1cc(nc1COc1nc(N2CCOCC2)c2cnn(C)c2n1)c1ccccc1 | InChi: | InChI=1S/C21H23N7O2/c1-26-13-17(15-6-4-3-5-7-15)23-18(26)14-30-21-24-19-16(12-22-27(19)2)20(25-21)28-8-10-29-11-9-28/h3-7,12-13H,8-11,14H2,1-2H3 | Definition date: | 2022-02-01 | Last modified: | 2022-10-07 | Release date: | 2022-10-12 | Identifier: | 1-methyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]-4-(morpholin-4-yl)-1H-pyrazolo[3,4-d]pyrimidine |
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| IXI | Name: | 5-[(3,6-dimethylpyridine-2-carbonyl)amino]-N-methyl-2-phenyl-1H-benzimidazole-6-carboxamide | Formula: | C23 H21 N5 O2 | SMILES: | Cc1ccc(C)nc1C(=O)Nc1cc2nc([NH]c2cc1C(=O)NC)c1ccccc1 | InChi: | InChI=1S/C23H21N5O2/c1-13-9-10-14(2)25-20(13)23(30)28-17-12-19-18(11-16(17)22(29)24-3)26-21(27-19)15-7-5-4-6-8-15/h4-12H,1-3H3,(H,24,29)(H,26,27)(H,28,30) | Definition date: | 2022-02-01 | Last modified: | 2022-10-07 | Release date: | 2022-10-12 | Identifier: | 5-[(3,6-dimethylpyridine-2-carbonyl)amino]-N-methyl-2-phenyl-1H-benzimidazole-6-carboxamide |
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| IXL | Name: | 4-(azetidine-1-carbonyl)-1-methyl-N-[(4R,7R)-2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide | Formula: | C23 H26 N6 O2 | SMILES: | O=C(c1cnn(C)c1C(=O)NC1Cc2nc(cn2CC1)c1ccccc1C)N1CCC1 | InChi: | InChI=1S/C23H26N6O2/c1-15-6-3-4-7-17(15)19-14-29-11-8-16(12-20(29)26-19)25-22(30)21-18(13-24-27(21)2)23(31)28-9-5-10-28/h3-4,6-7,13-14,16H,5,8-12H2,1-2H3,(H,25,30)/t16-/m1/s1 | Definition date: | 2022-02-01 | Last modified: | 2022-10-07 | Release date: | 2022-10-12 | Identifier: | 4-(azetidine-1-carbonyl)-1-methyl-N-[(4R,7R)-2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide |
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| IXT | Name: | (2S)-N'-[(E)-(4-bromo-3,5-dimethoxyphenyl)methylidene]-2-ethoxy-2-[4-(1H-pyrazol-1-yl)phenyl]acetohydrazide | Formula: | C22 H23 Br N4 O4 | SMILES: | COc1cc(cc(OC)c1Br)/C=N/NC(=O)C(OCC)c1ccc(cc1)n1cccn1 | InChi: | InChI=1S/C22H23BrN4O4/c1-4-31-21(16-6-8-17(9-7-16)27-11-5-10-25-27)22(28)26-24-14-15-12-18(29-2)20(23)19(13-15)30-3/h5-14,21H,4H2,1-3H3,(H,26,28)/b24-14+/t21-/m0/s1 | Definition date: | 2022-02-01 | Last modified: | 2022-10-07 | Release date: | 2022-10-12 | Identifier: | (2S)-N'-[(E)-(4-bromo-3,5-dimethoxyphenyl)methylidene]-2-ethoxy-2-[4-(1H-pyrazol-1-yl)phenyl]acetohydrazide |
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| IY2 | Name: | N~5~-[(4R)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-N~4~,N~4~,1-trimethyl-1H-pyrazole-4,5-dicarboxamide | Formula: | C21 H19 F N6 O2 | SMILES: | O=C(c1cnn(C)c1C(=O)Nc1cc2nc(cn2cc1)c1ccc(F)cc1)N(C)C | InChi: | InChI=1S/C21H19FN6O2/c1-26(2)21(30)16-11-23-27(3)19(16)20(29)24-15-8-9-28-12-17(25-18(28)10-15)13-4-6-14(22)7-5-13/h4-12H,1-3H3,(H,24,29) | Definition date: | 2022-02-01 | Last modified: | 2022-10-07 | Release date: | 2022-10-12 | Identifier: | N~5~-[(4R)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-N~4~,N~4~,1-trimethyl-1H-pyrazole-4,5-dicarboxamide |
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| IY6 | Name: | (4S)-2,3-dimethyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-7-(trifluoromethyl)imidazo[1,2-b]pyridazine | Formula: | C18 H22 F3 N7 | SMILES: | Cn1nc(nc1CCc1nn2c(C)c(C)nc2cc1C(F)(F)F)N1CCCC1 | InChi: | InChI=1S/C18H22F3N7/c1-11-12(2)28-16(22-11)10-13(18(19,20)21)14(24-28)6-7-15-23-17(25-26(15)3)27-8-4-5-9-27/h10H,4-9H2,1-3H3 | Definition date: | 2022-02-01 | Last modified: | 2022-10-07 | Release date: | 2022-10-12 | Identifier: | (4S)-2,3-dimethyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-7-(trifluoromethyl)imidazo[1,2-b]pyridazine |
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| IYD | Name: | N~4~-(2-methoxyethyl)-N~4~,1-dimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide | Formula: | C23 H24 N6 O3 | SMILES: | O=C(c1cnn(C)c1C(=O)Nc1cc2nc(cn2cc1)c1ccccc1)N(C)CCOC | InChi: | InChI=1S/C23H24N6O3/c1-27(11-12-32-3)23(31)18-14-24-28(2)21(18)22(30)25-17-9-10-29-15-19(26-20(29)13-17)16-7-5-4-6-8-16/h4-10,13-15H,11-12H2,1-3H3,(H,25,30) | Definition date: | 2022-02-01 | Last modified: | 2022-10-07 | Release date: | 2022-10-12 | Identifier: | N~4~-(2-methoxyethyl)-N~4~,1-dimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide |
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| IYH | Name: | 6-cyclopropyl-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxylic acid | Formula: | C12 H11 N5 O2 | SMILES: | O=C(O)c1nc(cnc1Nc1cncnc1)C1CC1 | InChi: | InChI=1S/C12H11N5O2/c18-12(19)10-11(16-8-3-13-6-14-4-8)15-5-9(17-10)7-1-2-7/h3-7H,1-2H2,(H,15,16)(H,18,19) | Definition date: | 2022-02-01 | Last modified: | 2022-10-07 | Release date: | 2022-10-12 | Identifier: | 6-cyclopropyl-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxylic acid |
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| IYN | Name: | 2-methyl-3-{2-[(3S)-1-(pyridin-2-yl)pyrrolidin-3-yl]ethyl}quinoxaline | Formula: | C20 H22 N4 | SMILES: | Cc1nc2ccccc2nc1CCC1CCN(C1)c1ncccc1 | InChi: | InChI=1S/C20H22N4/c1-15-17(23-19-7-3-2-6-18(19)22-15)10-9-16-11-13-24(14-16)20-8-4-5-12-21-20/h2-8,12,16H,9-11,13-14H2,1H3 | Definition date: | 2022-02-01 | Last modified: | 2022-10-07 | Release date: | 2022-10-12 | Identifier: | 2-methyl-3-{2-[(3S)-1-(pyridin-2-yl)pyrrolidin-3-yl]ethyl}quinoxaline |
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| IYW | Name: | 1-benzyl-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one | Formula: | C20 H16 N4 O | SMILES: | O=C1C=CN(Cc2ccccc2)N=C1c1ccnn1c1ccccc1 | InChi: | InChI=1S/C20H16N4O/c25-19-12-14-23(15-16-7-3-1-4-8-16)22-20(19)18-11-13-21-24(18)17-9-5-2-6-10-17/h1-14H,15H2 | Definition date: | 2022-02-01 | Last modified: | 2022-10-07 | Release date: | 2022-10-12 | Identifier: | 1-benzyl-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one |
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| IZH | Name: | (4S)-5,8-dimethyl-2-(2-{1-methyl-3-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-1H-1,2,4-triazol-5-yl}ethyl)[1,2,4]triazolo[1,5-c]pyrimidine | Formula: | C17 H21 F3 N8 | SMILES: | FC(F)(F)C1CCCN1c1nc(CCc2nc3c(C)cnc(C)n3n2)n(C)n1 | InChi: | InChI=1S/C17H21F3N8/c1-10-9-21-11(2)28-15(10)22-13(24-28)6-7-14-23-16(25-26(14)3)27-8-4-5-12(27)17(18,19)20/h9,12H,4-8H2,1-3H3 | Definition date: | 2022-02-01 | Last modified: | 2022-10-07 | Release date: | 2022-10-12 | Identifier: | (4S)-5,8-dimethyl-2-(2-{1-methyl-3-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-1H-1,2,4-triazol-5-yl}ethyl)[1,2,4]triazolo[1,5-c]pyrimidine |
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| IZK | Name: | 4-chloro-1-(2-methylpropyl)-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide | Formula: | C20 H19 Cl N6 O | SMILES: | Clc1cnn(CC(C)C)c1C(=O)Nc1ccn2cc(nc2n1)c1ccccc1 | InChi: | InChI=1S/C20H19ClN6O/c1-13(2)11-27-18(15(21)10-22-27)19(28)24-17-8-9-26-12-16(23-20(26)25-17)14-6-4-3-5-7-14/h3-10,12-13H,11H2,1-2H3,(H,23,24,25,28) | Definition date: | 2022-02-01 | Last modified: | 2022-10-07 | Release date: | 2022-10-12 | Identifier: | 4-chloro-1-(2-methylpropyl)-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide |
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| IZQ | Name: | (10R)-9-(2-chlorophenyl)-2-methoxy-7-methylimidazo[1,5-a]pyrido[3,2-e]pyrazin-6(5H)-one | Formula: | C17 H13 Cl N4 O2 | SMILES: | Clc1ccccc1c1nc(C)c2C(=O)Nc3ccc(OC)nc3n21 | InChi: | InChI=1S/C17H13ClN4O2/c1-9-14-17(23)20-12-7-8-13(24-2)21-16(12)22(14)15(19-9)10-5-3-4-6-11(10)18/h3-8H,1-2H3,(H,20,23) | Definition date: | 2022-02-01 | Last modified: | 2022-10-07 | Release date: | 2022-10-12 | Identifier: | (10R)-9-(2-chlorophenyl)-2-methoxy-7-methylimidazo[1,5-a]pyrido[3,2-e]pyrazin-6(5H)-one |
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| IZT | Name: | N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-N~2~-(methanesulfonyl)-N~2~-naphthalen-1-ylglycinamide | Formula: | C22 H22 N4 O4 S | SMILES: | CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)N(C)C(=O)N2C)c1cccc2ccccc21 | InChi: | InChI=1S/C22H22N4O4S/c1-24-19-12-11-16(13-20(19)25(2)22(24)28)23-21(27)14-26(31(3,29)30)18-10-6-8-15-7-4-5-9-17(15)18/h4-13H,14H2,1-3H3,(H,23,27) | Definition date: | 2022-02-01 | Last modified: | 2022-10-07 | Release date: | 2022-10-12 | Identifier: | N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-N~2~-(methanesulfonyl)-N~2~-naphthalen-1-ylglycinamide |
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| 7R8 | Name: | 6-oxidanylnaphthalene-2-carboximidamide | Formula: | C11 H10 N2 O | SMILES: | NC(=N)c1ccc2cc(O)ccc2c1 | InChi: | InChI=1S/C11H10N2O/c12-11(13)9-2-1-8-6-10(14)4-3-7(8)5-9/h1-6,14H,(H3,12,13) | Definition date: | 2021-10-14 | Last modified: | 2022-10-07 | Release date: | 2022-10-12 | Identifier: | 6-oxidanylnaphthalene-2-carboximidamide |
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| 8GZ | Name: | D-Prolinol | Formula: | C5 H11 N O | SMILES: | OC[CH]1CCCN1 | InChi: | InChI=1S/C5H11NO/c7-4-5-2-1-3-6-5/h5-7H,1-4H2/t5-/m1/s1 | Synonyms: | [(2~{R})-pyrrolidin-2-yl]methanol | Definition date: | 2021-10-13 | Last modified: | 2022-10-07 | Release date: | 2022-10-12 | Identifier: | [(2~{R})-pyrrolidin-2-yl]methanol |
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