5-chloro-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-3-yl-3H-isoindol-1-one;6-(6-cyclopropylpyridazin-3-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methyl-6-pyridin-3-yl-3H-isoindol-1-one

C142H115ClFN39O7 — CID 159313904

IUPAC5-chloro-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-3-yl-3H-isoindol-1-one;6-(6-cyclopropylpyridazin-3-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methyl-6-pyridin-3-yl-3H-isoindol-1-one
SMILESCOc1cc2c(cc1-c1cccnc1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.Cc1cc2c(cc1-c1cccnc1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.O=C1c2cc(-c3ccc(C4CC4)nn3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1.O=C1c2cc(-c3cccnc3)c(Cl)cc2CN1c1cccc(-c2nncn2C2CC2)n1.O=C1c2cc(-c3cccnc3)c(F)cc2CN1c1cccc(-c2nncn2C2CC2)n1.O=C1c2cc(-n3cc(C4CC4)nn3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1
InChIInChI=1S/C25H21N7O.C24H20N6O2.C24H20N6O.C23H17ClN6O.C23H17FN6O.C23H20N8O/c33-25-19-12-16(21-11-10-20(28-29-21)15-4-5-15)6-7-17(19)13-31(25)23-3-1-2-22(27-23)24-30-26-14-32(24)18-8-9-18;1-32-21-10-16-13-29(24(31)19(16)11-18(21)15-4-3-9-25-12-15)22-6-2-5-20(27-22)23-28-26-14-30(23)17-7-8-17;1-15-10-17-13-29(24(31)20(17)11-19(15)16-4-3-9-25-12-16)22-6-2-5-21(27-22)23-28-26-14-30(23)18-7-8-18;2*24-19-9-15-12-29(23(31)18(15)10-17(19)14-3-2-8-25-11-14)21-5-1-4-20(27-21)22-28-26-13-30(22)16-6-7-16;32-23-18-10-17(31-12-20(26-28-31)14-4-5-14)7-6-15(18)11-29(23)21-3-1-2-19(25-21)22-27-24-13-30(22)16-8-9-16/h1-3,6-7,10-12,14-15,18H,4-5,8-9,13H2;2-6,9-12,14,17H,7-8,13H2,1H3;2-6,9-12,14,18H,7-8,13H2,1H3;2*1-5,8-11,13,16H,6-7,12H2;1-3,6-7,10,12-14,16H,4-5,8-9,11H2
InChIKeyLCWUXCDGRMXRMB-UHFFFAOYSA-N
MW2534.20 g/mol
LogP24.16
Rot. Bonds27

About 5-chloro-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-3-yl-3H-isoindol-1-one;6-(6-cyclopropylpyridazin-3-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methyl-6-pyridin-3-yl-3H-isoindol-1-one

5-chloro-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-3-yl-3H-isoindol-1-one;6-(6-cyclopropylpyridazin-3-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methyl-6-pyridin-3-yl-3H-isoindol-1-one (PubChem CID 159313904) has the molecular formula C142H115ClFN39O7 and a molecular weight of 2534.20 g/mol. Its IUPAC name is 5-chloro-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-3-yl-3H-isoindol-1-one;6-(6-cyclopropylpyridazin-3-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methyl-6-pyridin-3-yl-3H-isoindol-1-one.

Molecular Properties

Compound Name5-chloro-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-3-yl-3H-isoindol-1-one;6-(6-cyclopropylpyridazin-3-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methyl-6-pyridin-3-yl-3H-isoindol-1-one
PubChem CID159313904
Molecular FormulaC142H115ClFN39O7
Molecular Weight2534.20 g/mol
Exact Mass2531.95
IUPAC Name5-chloro-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-3-yl-3H-isoindol-1-one;6-(6-cyclopropylpyridazin-3-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methyl-6-pyridin-3-yl-3H-isoindol-1-one
SMILESCOc1cc2c(cc1-c1cccnc1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.Cc1cc2c(cc1-c1cccnc1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.O=C1c2cc(-c3ccc(C4CC4)nn3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1.O=C1c2cc(-c3cccnc3)c(Cl)cc2CN1c1cccc(-c2nncn2C2CC2)n1.O=C1c2cc(-c3cccnc3)c(F)cc2CN1c1cccc(-c2nncn2C2CC2)n1.O=C1c2cc(-n3cc(C4CC4)nn3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1
InChIInChI=1S/C25H21N7O.C24H20N6O2.C24H20N6O.C23H17ClN6O.C23H17FN6O.C23H20N8O/c33-25-19-12-16(21-11-10-20(28-29-21)15-4-5-15)6-7-17(19)13-31(25)23-3-1-2-22(27-23)24-30-26-14-32(24)18-8-9-18;1-32-21-10-16-13-29(24(31)19(16)11-18(21)15-4-3-9-25-12-15)22-6-2-5-20(27-22)23-28-26-14-30(23)17-7-8-17;1-15-10-17-13-29(24(31)20(17)11-19(15)16-4-3-9-25-12-16)22-6-2-5-21(27-22)23-28-26-14-30(23)18-7-8-18;2*24-19-9-15-12-29(23(31)18(15)10-17(19)14-3-2-8-25-11-14)21-5-1-4-20(27-21)22-28-26-13-30(22)16-6-7-16;32-23-18-10-17(31-12-20(26-28-31)14-4-5-14)7-6-15(18)11-29(23)21-3-1-2-19(25-21)22-27-24-13-30(22)16-8-9-16/h1-3,6-7,10-12,14-15,18H,4-5,8-9,13H2;2-6,9-12,14,17H,7-8,13H2,1H3;2-6,9-12,14,18H,7-8,13H2,1H3;2*1-5,8-11,13,16H,6-7,12H2;1-3,6-7,10,12-14,16H,4-5,8-9,11H2
InChIKeyLCWUXCDGRMXRMB-UHFFFAOYSA-N
XLogP24.16
TPSA500.74 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds27
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002534.20
LogP ≤ 524.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Analyze 5-chloro-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-3-yl-3H-isoindol-1-one;6-(6-cyclopropylpyridazin-3-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methyl-6-pyridin-3-yl-3H-isoindol-1-one with MolForge

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Launch Full Analysis

Related Compounds

4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;N-methyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-piperazin-1-ylethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 157294464
(2-chloro-5-methylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2,3-dimethylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2,6-dimethylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(4-methoxy-2,5-dimethylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(3-methoxy-2-methylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(trifluoromethyl)-2-pyridinyl]methanone
CID 157888527
(2-chloro-6-fluorophenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(4-chloro-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2,3-dimethylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(4-methoxy-2,5-dimethylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(3-methoxy-2-methylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(trifluoromethyl)-2-pyridinyl]methanone
CID 159937581
(2S)-N-[(1S)-1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;(2R)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[2-(trifluoromethyl)indol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 159988612
(3S,4R)-1-[2-[(2S)-1-(2-chloro-5-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2,3-dimethylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2-methoxybenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(4-methoxy-2,5-dimethylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(3-methoxy-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-[4-(trifluoromethyl)pyridine-2-carbonyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile
CID 160060106
[4-(3-Cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-(4-fluorophenyl)methanone;2-(2,5-dichlorophenyl)-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;2-(3,4-dichlorophenyl)-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone;6-[4-(4-methoxyphenyl)piperazin-1-yl]imidazo[1,2-b]pyridazine
CID 160250716
CID 160382681
CID 160382681
CID 160382689
CID 160382689
CID 160498760
CID 160498760
4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;N,N-dimethyl-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(4-fluorophenyl)-8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methylphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;N-(2-piperazin-1-ylethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 160749355
8-[5-Chloro-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[6-(4-propan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-pyrrolidin-1-ylmethanone;5-[2-(2-methoxyphenyl)ethyl]-8-(6-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(1,3,5-trimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 160868600
4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;N-methyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-piperazin-1-ylethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 161218554

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-3-yl-3H-isoindol-1-one;6-(6-cyclopropylpyridazin-3-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methyl-6-pyridin-3-yl-3H-isoindol-1-one?
The IUPAC name of 5-chloro-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-3-yl-3H-isoindol-1-one;6-(6-cyclopropylpyridazin-3-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methyl-6-pyridin-3-yl-3H-isoindol-1-one (CID 159313904) is 5-chloro-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-3-yl-3H-isoindol-1-one;6-(6-cyclopropylpyridazin-3-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methyl-6-pyridin-3-yl-3H-isoindol-1-one.
What is the SMILES notation for 5-chloro-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-3-yl-3H-isoindol-1-one;6-(6-cyclopropylpyridazin-3-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methyl-6-pyridin-3-yl-3H-isoindol-1-one?
The canonical SMILES for 5-chloro-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-3-yl-3H-isoindol-1-one;6-(6-cyclopropylpyridazin-3-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methyl-6-pyridin-3-yl-3H-isoindol-1-one is COc1cc2c(cc1-c1cccnc1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.Cc1cc2c(cc1-c1cccnc1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.O=C1c2cc(-c3ccc(C4CC4)nn3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1.O=C1c2cc(-c3cccnc3)c(Cl)cc2CN1c1cccc(-c2nncn2C2CC2)n1.O=C1c2cc(-c3cccnc3)c(F)cc2CN1c1cccc(-c2nncn2C2CC2)n1.O=C1c2cc(-n3cc(C4CC4)nn3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1.
What is the InChIKey of 5-chloro-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-3-yl-3H-isoindol-1-one;6-(6-cyclopropylpyridazin-3-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methyl-6-pyridin-3-yl-3H-isoindol-1-one?
The InChIKey is LCWUXCDGRMXRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7O.C24H20N6O2.C24H20N6O.C23H17ClN6O.C23H17FN6O.C23H20N8O/c33-25-19-12-16(21-11-10-20(28-29-21)15-4-5-15)6-7-17(19)13-31(25)23-3-1-2-22(27-23)24-30-26-14-32(24)18-8-9-18;1-32-21-10-16-13-29(24(31)19(16)11-18(21)15-4-3-9-25-12-15)22-6-2-5-20(27-22)23-28-26-14-30(23)17-7-8-17;1-15-10-17-13-29(24(31)20(17)11-19(15)16-4-3-9-25-12-16)22-6-2-5-21(27-22)23-28-26-14-30(23)18-7-8-18;2*24-19-9-15-12-29(23(31)18(15)10-17(19)14-3-2-8-25-11-14)21-5-1-4-20(27-21)22-28-26-13-30(22)16-6-7-16;32-23-18-10-17(31-12-20(26-28-31)14-4-5-14)7-6-15(18)11-29(23)21-3-1-2-19(25-21)22-27-24-13-30(22)16-8-9-16/h1-3,6-7,10-12,14-15,18H,4-5,8-9,13H2;2-6,9-12,14,17H,7-8,13H2,1H3;2-6,9-12,14,18H,7-8,13H2,1H3;2*1-5,8-11,13,16H,6-7,12H2;1-3,6-7,10,12-14,16H,4-5,8-9,11H2.
What are the key properties of 5-chloro-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-3-yl-3H-isoindol-1-one;6-(6-cyclopropylpyridazin-3-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methyl-6-pyridin-3-yl-3H-isoindol-1-one?
5-chloro-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-3-yl-3H-isoindol-1-one;6-(6-cyclopropylpyridazin-3-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methyl-6-pyridin-3-yl-3H-isoindol-1-one has a molecular weight of 2534.20 g/mol, XLogP of 24.16, 27 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-3-yl-3H-isoindol-1-one;6-(6-cyclopropylpyridazin-3-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(4-cyclopropyltriazol-1-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methyl-6-pyridin-3-yl-3H-isoindol-1-one is sourced from PubChem (CID 159313904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).