| H1K | Name: | 1-(5-chloro-2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea | Formula: | C13 H13 Cl N4 O3 | SMILES: | O=C(Nc1nccnc1)Nc2cc(Cl)c(OC)cc2OC | InChi: | InChI=1S/C13H13ClN4O3/c1-20-10-6-11(21-2)9(5-8(10)14)17-13(19)18-12-7-15-3-4-16-12/h3-7H,1-2H3,(H2,16,17,18,19) | Definition date: | 2012-07-02 | Last modified: | 2012-08-17 | Identifier: | 1-(5-chloro-2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea |
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| 4HK | Name: | 5-{7-ethyl-6-[(3S)-tetrahydrofuran-3-yloxy]-2,4-dihydroindeno[1,2-c]pyrazol-3-yl}pyridine-2-carbonitrile | Formula: | C22 H20 N4 O2 | SMILES: | N#Cc1ncc(cc1)c2c5c(nn2)c4cc(c(OC3CCOC3)cc4C5)CC | InChi: | InChI=1S/C22H20N4O2/c1-2-13-7-18-15(9-20(13)28-17-5-6-27-12-17)8-19-21(25-26-22(18)19)14-3-4-16(10-23)24-11-14/h3-4,7,9,11,17H,2,5-6,8,12H2,1H3,(H,25,26)/t17-/m0/s1 | Definition date: | 2012-07-05 | Last modified: | 2012-08-17 | Identifier: | 5-{7-ethyl-6-[(3S)-tetrahydrofuran-3-yloxy]-2,4-dihydroindeno[1,2-c]pyrazol-3-yl}pyridine-2-carbonitrile |
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| H2K | Name: | 1-{5-chloro-2-[(3R)-pyrrolidin-3-yloxy]phenyl}-3-(5-cyanopyrazin-2-yl)urea | Formula: | C16 H15 Cl N6 O2 | SMILES: | N#Cc1ncc(nc1)NC(=O)Nc3cc(Cl)ccc3OC2CCNC2 | InChi: | InChI=1S/C16H15ClN6O2/c17-10-1-2-14(25-12-3-4-19-8-12)13(5-10)22-16(24)23-15-9-20-11(6-18)7-21-15/h1-2,5,7,9,12,19H,3-4,8H2,(H2,21,22,23,24)/t12-/m1/s1 | Definition date: | 2012-07-02 | Last modified: | 2012-08-17 | Identifier: | 1-{5-chloro-2-[(3R)-pyrrolidin-3-yloxy]phenyl}-3-(5-cyanopyrazin-2-yl)urea |
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| H3K | Name: | 1-{5-bromo-2-[(3R)-3-hydroxypiperidin-1-yl]phenyl}-3-(5-cyanopyrazin-2-yl)urea | Formula: | C17 H17 Br N6 O2 | SMILES: | N#Cc1ncc(nc1)NC(=O)Nc2cc(Br)ccc2N3CCCC(O)C3 | InChi: | InChI=1S/C17H17BrN6O2/c18-11-3-4-15(24-5-1-2-13(25)10-24)14(6-11)22-17(26)23-16-9-20-12(7-19)8-21-16/h3-4,6,8-9,13,25H,1-2,5,10H2,(H2,21,22,23,26)/t13-/m1/s1 | Definition date: | 2012-07-03 | Last modified: | 2012-08-17 | Identifier: | 1-{5-bromo-2-[(3R)-3-hydroxypiperidin-1-yl]phenyl}-3-(5-cyanopyrazin-2-yl)urea |
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| H4K | Name: | 1-(5-cyanopyrazin-2-yl)-3-isoquinolin-3-ylurea | Formula: | C15 H10 N6 O | SMILES: | O=C(Nc1ncc(nc1)C#N)Nc2ncc3c(c2)cccc3 | InChi: | InChI=1S/C15H10N6O/c16-6-12-8-19-14(9-17-12)21-15(22)20-13-5-10-3-1-2-4-11(10)7-18-13/h1-5,7-9H,(H2,18,19,20,21,22) | Definition date: | 2012-07-03 | Last modified: | 2012-08-17 | Identifier: | 1-(5-cyanopyrazin-2-yl)-3-isoquinolin-3-ylurea |
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| H5K | Name: | 6-{[(5-cyanopyrazin-2-yl)carbamoyl]amino}naphthalene-2-carboxylic acid | Formula: | C17 H11 N5 O3 | SMILES: | O=C(Nc1ncc(nc1)C#N)Nc3cc2ccc(C(=O)O)cc2cc3 | InChi: | InChI=1S/C17H11N5O3/c18-7-14-8-20-15(9-19-14)22-17(25)21-13-4-3-10-5-12(16(23)24)2-1-11(10)6-13/h1-6,8-9H,(H,23,24)(H2,20,21,22,25) | Definition date: | 2012-07-03 | Last modified: | 2012-08-17 | Identifier: | 6-{[(5-cyanopyrazin-2-yl)carbamoyl]amino}naphthalene-2-carboxylic acid |
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| H6K | Name: | 1-(5-cyanopyrazin-2-yl)-3-(5-phenyl-1H-pyrazol-3-yl)urea | Formula: | C15 H11 N7 O | SMILES: | O=C(Nc2nnc(c1ccccc1)c2)Nc3ncc(C#N)nc3 | InChi: | InChI=1S/C15H11N7O/c16-7-11-8-18-14(9-17-11)20-15(23)19-13-6-12(21-22-13)10-4-2-1-3-5-10/h1-6,8-9H,(H3,18,19,20,21,22,23) | Definition date: | 2012-07-03 | Last modified: | 2012-08-17 | Identifier: | 1-(5-cyanopyrazin-2-yl)-3-(5-phenyl-1H-pyrazol-3-yl)urea |
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| H7K | Name: | methyl 5-(6-{[(cis-4-hydroxycyclohexyl)amino]methyl}-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)furan-2-carboxylate | Formula: | C23 H25 N3 O4 | SMILES: | O=C(OC)c5oc(c1c3c(nn1)c2ccc(cc2C3)CNC4CCC(O)CC4)cc5 | InChi: | InChI=1S/C23H25N3O4/c1-29-23(28)20-9-8-19(30-20)22-18-11-14-10-13(2-7-17(14)21(18)25-26-22)12-24-15-3-5-16(27)6-4-15/h2,7-10,15-16,24,27H,3-6,11-12H2,1H3,(H,25,26)/t15-,16+ | Definition date: | 2012-07-03 | Last modified: | 2012-08-17 | Identifier: | methyl 5-(6-{[(cis-4-hydroxycyclohexyl)amino]methyl}-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)furan-2-carboxylate |
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| H8K | Name: | trans-4-({[3-(furan-3-yl)-2,4-dihydroindeno[1,2-c]pyrazol-6-yl]methyl}amino)cyclohexanol | Formula: | C21 H23 N3 O2 | SMILES: | n3c2c1ccc(cc1Cc2c(n3)c4ccoc4)CNC5CCC(O)CC5 | InChi: | InChI=1S/C21H23N3O2/c25-17-4-2-16(3-5-17)22-11-13-1-6-18-15(9-13)10-19-20(23-24-21(18)19)14-7-8-26-12-14/h1,6-9,12,16-17,22,25H,2-5,10-11H2,(H,23,24)/t16-,17- | Definition date: | 2012-07-03 | Last modified: | 2012-08-17 | Identifier: | trans-4-({[3-(furan-3-yl)-2,4-dihydroindeno[1,2-c]pyrazol-6-yl]methyl}amino)cyclohexanol |
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| H9K | Name: | 3-(4'-hydroxybiphenyl-4-yl)-2,4-dihydroindeno[1,2-c]pyrazol-6-ol | Formula: | C22 H16 N2 O2 | SMILES: | Oc1ccc(cc1)c2ccc(cc2)c3c5c(nn3)c4ccc(O)cc4C5 | InChi: | InChI=1S/C22H16N2O2/c25-17-7-5-14(6-8-17)13-1-3-15(4-2-13)21-20-12-16-11-18(26)9-10-19(16)22(20)24-23-21/h1-11,25-26H,12H2,(H,23,24) | Definition date: | 2012-07-03 | Last modified: | 2012-08-17 | Identifier: | 3-(4'-hydroxybiphenyl-4-yl)-2,4-dihydroindeno[1,2-c]pyrazol-6-ol |
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| 1HK | Name: | 4-[2-(2,4-dihydroindeno[1,2-c]pyrazol-3-yl)ethyl]-2-methoxyphenol | Formula: | C19 H18 N2 O2 | SMILES: | Oc1ccc(cc1OC)CCc2c4c(nn2)c3ccccc3C4 | InChi: | InChI=1S/C19H18N2O2/c1-23-18-10-12(7-9-17(18)22)6-8-16-15-11-13-4-2-3-5-14(13)19(15)21-20-16/h2-5,7,9-10,22H,6,8,11H2,1H3,(H,20,21) | Definition date: | 2012-07-05 | Last modified: | 2012-08-17 | Identifier: | 4-[2-(2,4-dihydroindeno[1,2-c]pyrazol-3-yl)ethyl]-2-methoxyphenol |
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| HK1 | Name: | 4-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)phenol | Formula: | C18 H16 N2 O3 | SMILES: | Oc1ccc(cc1)c2c4c(nn2)c3cc(OC)c(OC)cc3C4 | InChi: | InChI=1S/C18H16N2O3/c1-22-15-8-11-7-14-17(10-3-5-12(21)6-4-10)19-20-18(14)13(11)9-16(15)23-2/h3-6,8-9,21H,7H2,1-2H3,(H,19,20) | Definition date: | 2012-06-28 | Last modified: | 2012-08-17 | Identifier: | 4-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)phenol |
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| HK3 | Name: | 4'-(6,7-dimethoxyindeno[1,2-c]pyrazol-3-yl)biphenyl-4-ol | Formula: | C24 H18 N2 O3 | SMILES: | Oc1ccc(cc1)c5ccc(C=3N=NC4=C2C(C=C(OC)C(OC)=C2)=CC=34)cc5 | InChi: | InChI=1S/C24H18N2O3/c1-28-21-12-17-11-20-23(25-26-24(20)19(17)13-22(21)29-2)16-5-3-14(4-6-16)15-7-9-18(27)10-8-15/h3-13,27H,1-2H3 | Definition date: | 2012-07-02 | Last modified: | 2012-08-17 | Identifier: | 4'-(6,7-dimethoxyindeno[1,2-c]pyrazol-3-yl)biphenyl-4-ol |
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| HK4 | Name: | 4-[(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)ethynyl]-2-methoxyphenol | Formula: | C21 H18 N2 O4 | SMILES: | Oc4ccc(C#Cc1c3c(nn1)c2cc(OC)c(OC)cc2C3)cc4OC | InChi: | InChI=1S/C21H18N2O4/c1-25-18-8-12(5-7-17(18)24)4-6-16-15-9-13-10-19(26-2)20(27-3)11-14(13)21(15)23-22-16/h5,7-8,10-11,24H,9H2,1-3H3,(H,22,23) | Definition date: | 2012-07-02 | Last modified: | 2012-08-17 | Identifier: | 4-[(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)ethynyl]-2-methoxyphenol |
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| HK5 | Name: | 4-[6-(1H-imidazol-1-ylmethyl)-7-methoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]benzonitrile | Formula: | C22 H17 N5 O | SMILES: | N#Cc1ccc(cc1)c2c4c(nn2)c3cc(OC)c(cc3C4)Cn5ccnc5 | InChi: | InChI=1S/C22H17N5O/c1-28-20-10-18-16(8-17(20)12-27-7-6-24-13-27)9-19-21(25-26-22(18)19)15-4-2-14(11-23)3-5-15/h2-8,10,13H,9,12H2,1H3,(H,25,26) | Definition date: | 2012-07-02 | Last modified: | 2012-08-17 | Identifier: | 4-[6-(1H-imidazol-1-ylmethyl)-7-methoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]benzonitrile |
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| HK6 | Name: | 8-chloro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one | Formula: | C13 H9 Cl N2 O | SMILES: | Clc3cc1c(Nc2c(C(=O)N1)cccc2)cc3 | InChi: | InChI=1S/C13H9ClN2O/c14-8-5-6-11-12(7-8)16-13(17)9-3-1-2-4-10(9)15-11/h1-7,15H,(H,16,17) | Definition date: | 2012-07-02 | Last modified: | 2012-08-17 | Identifier: | 8-chloro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one |
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| HK7 | Name: | 2-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-3-yl)benzamide | Formula: | C20 H15 N3 O2 | SMILES: | O=C(N)c1ccccc1c4cc3Nc2c(cccc2)NC(=O)c3cc4 | InChi: | InChI=1S/C20H15N3O2/c21-19(24)14-6-2-1-5-13(14)12-9-10-15-18(11-12)22-16-7-3-4-8-17(16)23-20(15)25/h1-11,22H,(H2,21,24)(H,23,25) | Definition date: | 2012-07-02 | Last modified: | 2012-08-17 | Identifier: | 2-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-3-yl)benzamide |
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| HK8 | Name: | (3-chloro-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-8-yl)acetic acid | Formula: | C15 H11 Cl N2 O3 | SMILES: | O=C(O)Cc3cc1c(Nc2c(C(=O)N1)ccc(Cl)c2)cc3 | InChi: | InChI=1S/C15H11ClN2O3/c16-9-2-3-10-12(7-9)17-11-4-1-8(6-14(19)20)5-13(11)18-15(10)21/h1-5,7,17H,6H2,(H,18,21)(H,19,20) | Definition date: | 2012-07-02 | Last modified: | 2012-08-17 | Identifier: | (3-chloro-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-8-yl)acetic acid |
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| HK9 | Name: | 2-methoxy-4-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-3-yl)benzoic acid | Formula: | C21 H16 N2 O4 | SMILES: | O=C(O)c1ccc(cc1OC)c4cc3Nc2c(cccc2)NC(=O)c3cc4 | InChi: | InChI=1S/C21H16N2O4/c1-27-19-11-13(7-9-15(19)21(25)26)12-6-8-14-18(10-12)22-16-4-2-3-5-17(16)23-20(14)24/h2-11,22H,1H3,(H,23,24)(H,25,26) | Definition date: | 2012-07-02 | Last modified: | 2012-08-17 | Identifier: | 2-methoxy-4-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-3-yl)benzoic acid |
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| HKC | Name: | 6,7-dimethoxy-3-[4-(1H-tetrazol-5-yl)phenyl]-1,4-dihydroindeno[1,2-c]pyrazole | Formula: | C19 H16 N6 O2 | SMILES: | n1nnnc1c5ccc(c4nnc3c2cc(OC)c(OC)cc2Cc34)cc5 | InChi: | InChI=1S/C19H16N6O2/c1-26-15-8-12-7-14-17(20-21-18(14)13(12)9-16(15)27-2)10-3-5-11(6-4-10)19-22-24-25-23-19/h3-6,8-9H,7H2,1-2H3,(H,20,21)(H,22,23,24,25) | Definition date: | 2012-07-02 | Last modified: | 2012-08-17 | Identifier: | 6,7-dimethoxy-3-[4-(1H-tetrazol-5-yl)phenyl]-1,4-dihydroindeno[1,2-c]pyrazole |
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| W61 | Name: | 1,3-thiazolidin-3-yl[(2S,4S)-4-{4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl}pyrrolidin-2-yl]methanone | Formula: | C22 H26 F3 N5 O S | SMILES: | O=C(N1CCSC1)C5NCC(N4CCN(c2c3ccccc3nc(c2)C(F)(F)F)CC4)C5 | InChi: | InChI=1S/C22H26F3N5OS/c23-22(24,25)20-12-19(16-3-1-2-4-17(16)27-20)29-7-5-28(6-8-29)15-11-18(26-13-15)21(31)30-9-10-32-14-30/h1-4,12,15,18,26H,5-11,13-14H2/t15-,18-/m0/s1 | Definition date: | 2011-11-08 | Last modified: | 2012-08-10 | Identifier: | 1,3-thiazolidin-3-yl[(2S,4S)-4-{4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl}pyrrolidin-2-yl]methanone |
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| 9MX | Name: | (R)-1-[(S)-3-[((S)-1-Carbamimidoyl-piperidin-3-ylmethyl)-carbamoyl]-2-(naphthalene-2-sulfonylamino)-propionyl]-4-methyl-piperidine-2-carboxylic acid | Formula: | C28 H38 N6 O6 S | SMILES: | O=C(N1C(C(=O)O)CC(C)CC1)C(NS(=O)(=O)c3cc2ccccc2cc3)CC(=O)NCC4CCCN(C(=[N@H])N)C4 | InChi: | InChI=1S/C28H38N6O6S/c1-18-10-12-34(24(13-18)27(37)38)26(36)23(15-25(35)31-16-19-5-4-11-33(17-19)28(29)30)32-41(39,40)22-9-8-20-6-2-3-7-21(20)14-22/h2-3,6-9,14,18-19,23-24,32H,4-5,10-13,15-17H2,1H3,(H3,29,30)(H,31,35)(H,37,38)/t18-,19+,23+,24-/m1/s1 | Definition date: | 2012-06-24 | Last modified: | 2012-08-10 | Identifier: | (2R,4R)-1-[N-{[(3S)-1-carbamimidoylpiperidin-3-yl]methyl}-N~2~-(naphthalen-2-ylsulfonyl)-L-asparaginyl]-4-methylpiperidine-2-carboxylic acid |
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| 0WC | Name: | (2R)-4-[1-(2-amino-5-chloropyrimidin-4-yl)-2,3-dihydro-1H-indol-6-yl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol | Formula: | C19 H16 Cl N5 O S | SMILES: | Clc1cnc(nc1N4c3c(ccc(C#CC(O)(c2nccs2)C)c3)CC4)N | InChi: | InChI=1S/C19H16ClN5OS/c1-19(26,17-22-7-9-27-17)6-4-12-2-3-13-5-8-25(15(13)10-12)16-14(20)11-23-18(21)24-16/h2-3,7,9-11,26H,5,8H2,1H3,(H2,21,23,24)/t19-/m1/s1 | Definition date: | 2012-08-07 | Last modified: | 2012-08-10 | Identifier: | (2R)-4-[1-(2-amino-5-chloropyrimidin-4-yl)-2,3-dihydro-1H-indol-6-yl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol |
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| 0WS | Name: | 2-(1H-pyrazol-3-yl)pyridine-4-carboxylic acid | Formula: | C9 H7 N3 O2 | SMILES: | O=C(O)c2ccnc(c1nncc1)c2 | InChi: | InChI=1S/C9H7N3O2/c13-9(14)6-1-3-10-8(5-6)7-2-4-11-12-7/h1-5H,(H,11,12)(H,13,14) | Definition date: | 2012-08-01 | Last modified: | 2012-08-10 | Identifier: | 2-(1H-pyrazol-3-yl)pyridine-4-carboxylic acid |
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| 4TT | Name: | 4,5,6,11-tetrahydro-1H-pyrazolo[4',3':6,7]cyclohepta[1,2-b]indole | Formula: | C14 H13 N3 | SMILES: | n4cc3c(c2c(c1ccccc1n2)CCC3)n4 | InChi: | InChI=1S/C14H13N3/c1-2-7-12-10(5-1)11-6-3-4-9-8-15-17-13(9)14(11)16-12/h1-2,5,7-8,16H,3-4,6H2,(H,15,17) | Definition date: | 2011-11-11 | Last modified: | 2012-08-10 | Identifier: | 4,5,6,11-tetrahydro-1H-pyrazolo[4',3':6,7]cyclohepta[1,2-b]indole |
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