6-(2-cyclopropyl-2-oxoethyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N,N-dimethyl-3-oxo-1H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-oxo-1H-isoindole-5-carboxylic acid;2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;methyl 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-oxo-1H-isoindole-5-carboxylate;2-[6-(5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]-3H-isoindol-1-one

C139H121FN36O13 — CID 157119190

IUPAC6-(2-cyclopropyl-2-oxoethyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N,N-dimethyl-3-oxo-1H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-oxo-1H-isoindole-5-carboxylic acid;2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;methyl 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-oxo-1H-isoindole-5-carboxylate;2-[6-(5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]-3H-isoindol-1-one
SMILESCC1CCc2nnc(-c3cccc(N4Cc5ccccc5C4=O)n3)n21.CN(C)C(=O)c1ccc2c(c1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.COC(=O)c1ccc2c(c1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.O=C(Cc1cc2c(cc1F)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O)C1CC1.O=C(O)c1ccc2c(c1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.O=C1c2ccccc2CN1c1cccc(-c2nnc3n2CCC3)n1.O=C1c2ccccc2CN1c1cccc(-c2nnc3n2CCCC3)n1
InChIInChI=1S/C23H20FN5O2.C21H20N6O2.C20H17N5O3.C19H15N5O3.2C19H17N5O.C18H15N5O/c24-18-9-15-11-28(23(31)17(15)8-14(18)10-20(30)13-4-5-13)21-3-1-2-19(26-21)22-27-25-12-29(22)16-6-7-16;1-25(2)20(28)13-6-7-14-11-26(21(29)16(14)10-13)18-5-3-4-17(23-18)19-24-22-12-27(19)15-8-9-15;1-28-20(27)12-5-6-13-10-24(19(26)15(13)9-12)17-4-2-3-16(22-17)18-23-21-11-25(18)14-7-8-14;25-18-14-8-11(19(26)27)4-5-12(14)9-23(18)16-3-1-2-15(21-16)17-22-20-10-24(17)13-6-7-13;1-12-9-10-17-21-22-18(24(12)17)15-7-4-8-16(20-15)23-11-13-5-2-3-6-14(13)19(23)25;25-19-14-7-2-1-6-13(14)12-24(19)16-10-5-8-15(20-16)18-22-21-17-9-3-4-11-23(17)18;24-18-13-6-2-1-5-12(13)11-23(18)15-8-3-7-14(19-15)17-21-20-16-9-4-10-22(16)17/h1-3,8-9,12-13,16H,4-7,10-11H2;3-7,10,12,15H,8-9,11H2,1-2H3;2-6,9,11,14H,7-8,10H2,1H3;1-5,8,10,13H,6-7,9H2,(H,26,27);2-8,12H,9-11H2,1H3;1-2,5-8,10H,3-4,9,11-12H2;1-3,5-8H,4,9-11H2
InChIKeyAHTKYRNQUKXLBA-UHFFFAOYSA-N
MW2522.73 g/mol
LogP19.48
Rot. Bonds24

About 6-(2-cyclopropyl-2-oxoethyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N,N-dimethyl-3-oxo-1H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-oxo-1H-isoindole-5-carboxylic acid;2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;methyl 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-oxo-1H-isoindole-5-carboxylate;2-[6-(5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]-3H-isoindol-1-one

6-(2-cyclopropyl-2-oxoethyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N,N-dimethyl-3-oxo-1H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-oxo-1H-isoindole-5-carboxylic acid;2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;methyl 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-oxo-1H-isoindole-5-carboxylate;2-[6-(5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]-3H-isoindol-1-one (PubChem CID 157119190) has the molecular formula C139H121FN36O13 and a molecular weight of 2522.73 g/mol. Its IUPAC name is 6-(2-cyclopropyl-2-oxoethyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N,N-dimethyl-3-oxo-1H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-oxo-1H-isoindole-5-carboxylic acid;2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;methyl 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-oxo-1H-isoindole-5-carboxylate;2-[6-(5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name6-(2-cyclopropyl-2-oxoethyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N,N-dimethyl-3-oxo-1H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-oxo-1H-isoindole-5-carboxylic acid;2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;methyl 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-oxo-1H-isoindole-5-carboxylate;2-[6-(5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]-3H-isoindol-1-one
PubChem CID157119190
Molecular FormulaC139H121FN36O13
Molecular Weight2522.73 g/mol
Exact Mass2520.99
IUPAC Name6-(2-cyclopropyl-2-oxoethyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N,N-dimethyl-3-oxo-1H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-oxo-1H-isoindole-5-carboxylic acid;2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;methyl 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-oxo-1H-isoindole-5-carboxylate;2-[6-(5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]-3H-isoindol-1-one
SMILESCC1CCc2nnc(-c3cccc(N4Cc5ccccc5C4=O)n3)n21.CN(C)C(=O)c1ccc2c(c1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.COC(=O)c1ccc2c(c1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.O=C(Cc1cc2c(cc1F)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O)C1CC1.O=C(O)c1ccc2c(c1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.O=C1c2ccccc2CN1c1cccc(-c2nnc3n2CCC3)n1.O=C1c2ccccc2CN1c1cccc(-c2nnc3n2CCCC3)n1
InChIInChI=1S/C23H20FN5O2.C21H20N6O2.C20H17N5O3.C19H15N5O3.2C19H17N5O.C18H15N5O/c24-18-9-15-11-28(23(31)17(15)8-14(18)10-20(30)13-4-5-13)21-3-1-2-19(26-21)22-27-25-12-29(22)16-6-7-16;1-25(2)20(28)13-6-7-14-11-26(21(29)16(14)10-13)18-5-3-4-17(23-18)19-24-22-12-27(19)15-8-9-15;1-28-20(27)12-5-6-13-10-24(19(26)15(13)9-12)17-4-2-3-16(22-17)18-23-21-11-25(18)14-7-8-14;25-18-14-8-11(19(26)27)4-5-12(14)9-23(18)16-3-1-2-15(21-16)17-22-20-10-24(17)13-6-7-13;1-12-9-10-17-21-22-18(24(12)17)15-7-4-8-16(20-15)23-11-13-5-2-3-6-14(13)19(23)25;25-19-14-7-2-1-6-13(14)12-24(19)16-10-5-8-15(20-16)18-22-21-17-9-3-4-11-23(17)18;24-18-13-6-2-1-5-12(13)11-23(18)15-8-3-7-14(19-15)17-21-20-16-9-4-10-22(16)17/h1-3,8-9,12-13,16H,4-7,10-11H2;3-7,10,12,15H,8-9,11H2,1-2H3;2-6,9,11,14H,7-8,10H2,1H3;1-5,8,10,13H,6-7,9H2,(H,26,27);2-8,12H,9-11H2,1H3;1-2,5-8,10H,3-4,9,11-12H2;1-3,5-8H,4,9-11H2
InChIKeyAHTKYRNQUKXLBA-UHFFFAOYSA-N
XLogP19.48
TPSA548.35 Ų
H-Bond Donors1
H-Bond Acceptors40
Rotatable Bonds24
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002522.73
LogP ≤ 519.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1040

Analyze 6-(2-cyclopropyl-2-oxoethyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N,N-dimethyl-3-oxo-1H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-oxo-1H-isoindole-5-carboxylic acid;2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;methyl 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-oxo-1H-isoindole-5-carboxylate;2-[6-(5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]-3H-isoindol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[4-[4-cyano-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-6-[5-[[ethyl(oxetan-3-ylmethyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]-2-pyridinyl]cyclopropyl]-4-[2-cyclopropyl-6-[6-fluoro-5-(hydroxymethyl)-3-oxo-1H-isoindol-2-yl]-4-pyridinyl]-3-(4-methyl-1,2,4-triazol-3-yl)benzonitrilium
CID 165411370
3-(2-Amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]benzoic acid;3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]benzoic acid;1-[3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]phenyl]-3-methylbutan-1-one;1-[3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]phenyl]-3-methylbutan-1-one;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoic acid;4-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(1-methylimidazol-4-yl)benzoic acid;methyl 3-(2-amino-4-pyridinyl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]benzoate;methyl 3-(2-amino-4-pyridinyl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]benzoate;methyl 4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzoate;methyl 4-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(1-methylimidazol-4-yl)benzoate
CID 167606000
2-[2-(1-hydroxycyclopropyl)phenyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-hydroxypropan-2-yl)phenyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methyl 2-[7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl]benzoate;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propanoylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(2H-triazol-4-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 167637259
5-(2-cyclopropylacetyl)-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-(4-hydroxy-4-methylpiperidine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-hydroxypiperidine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-methoxypiperidine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-methylpiperazine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[2-(oxan-4-yl)acetyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(piperidine-1-carbonyl)-3H-isoindol-1-one
CID 157206358
2,5-difluoro-3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]benzoic acid;3-fluoro-4-methyl-5-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]benzoic acid;methyl 3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]-4-fluorobenzoate;methyl 4-fluoro-3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]benzoate;methyl 3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]benzoate
CID 157475385
2-fluoro-3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]benzoic acid;2-fluoro-5-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]benzoic acid;3-fluoro-5-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]benzoic acid;4-fluoro-3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]benzoic acid;3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]benzoic acid
CID 157917062
3-fluoro-2-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]pyridine-4-carboxylic acid;6-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;3-methyl-2-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]pyridine-4-carboxylic acid;6-(3-oxo-1H-2-benzofuran-5-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one
CID 157961466
2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-oxo-1H-isoindole-5-carboxylic acid;methyl 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-oxo-1H-isoindole-5-carboxylate
CID 158092375
carbon dioxide;6-[3-(hydroxymethyl)phenyl]-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(1-oxo-3H-2-benzofuran-5-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[4-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]acetic acid;1-[4-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]cyclopropane-1-carboxylic acid;2-[4-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]propanoic acid
CID 158192875
2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-6-pyridin-3-yl-3H-isoindole-5-carboxylic acid;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-3-yl-5-(pyrrolidine-1-carbonyl)-3H-isoindol-1-one;methane;methyl 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-6-pyridin-3-yl-3H-isoindole-5-carboxylate;pyrrolidine
CID 158274417
6-(1-cyclopropylpyrazol-4-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(6-cyclopropyl-3-pyridinyl)-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]-6-(6-methoxy-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(6-methyl-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrimidin-5-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrimidin-5-yl-3H-isoindol-1-one
CID 158536950
2-[3-[1-(4-Tert-butylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(2-fluoro-4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;methyl 4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzoate;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(4-methylphenyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(4-propan-2-ylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
CID 159127431

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopropyl-2-oxoethyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N,N-dimethyl-3-oxo-1H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-oxo-1H-isoindole-5-carboxylic acid;2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;methyl 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-oxo-1H-isoindole-5-carboxylate;2-[6-(5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]-3H-isoindol-1-one?
The IUPAC name of 6-(2-cyclopropyl-2-oxoethyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N,N-dimethyl-3-oxo-1H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-oxo-1H-isoindole-5-carboxylic acid;2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;methyl 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-oxo-1H-isoindole-5-carboxylate;2-[6-(5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]-3H-isoindol-1-one (CID 157119190) is 6-(2-cyclopropyl-2-oxoethyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N,N-dimethyl-3-oxo-1H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-oxo-1H-isoindole-5-carboxylic acid;2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;methyl 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-oxo-1H-isoindole-5-carboxylate;2-[6-(5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]-3H-isoindol-1-one.
What is the SMILES notation for 6-(2-cyclopropyl-2-oxoethyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N,N-dimethyl-3-oxo-1H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-oxo-1H-isoindole-5-carboxylic acid;2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;methyl 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-oxo-1H-isoindole-5-carboxylate;2-[6-(5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]-3H-isoindol-1-one?
The canonical SMILES for 6-(2-cyclopropyl-2-oxoethyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N,N-dimethyl-3-oxo-1H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-oxo-1H-isoindole-5-carboxylic acid;2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;methyl 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-oxo-1H-isoindole-5-carboxylate;2-[6-(5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]-3H-isoindol-1-one is CC1CCc2nnc(-c3cccc(N4Cc5ccccc5C4=O)n3)n21.CN(C)C(=O)c1ccc2c(c1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.COC(=O)c1ccc2c(c1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.O=C(Cc1cc2c(cc1F)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O)C1CC1.O=C(O)c1ccc2c(c1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.O=C1c2ccccc2CN1c1cccc(-c2nnc3n2CCC3)n1.O=C1c2ccccc2CN1c1cccc(-c2nnc3n2CCCC3)n1.
What is the InChIKey of 6-(2-cyclopropyl-2-oxoethyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N,N-dimethyl-3-oxo-1H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-oxo-1H-isoindole-5-carboxylic acid;2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;methyl 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-oxo-1H-isoindole-5-carboxylate;2-[6-(5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]-3H-isoindol-1-one?
The InChIKey is AHTKYRNQUKXLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2.C21H20N6O2.C20H17N5O3.C19H15N5O3.2C19H17N5O.C18H15N5O/c24-18-9-15-11-28(23(31)17(15)8-14(18)10-20(30)13-4-5-13)21-3-1-2-19(26-21)22-27-25-12-29(22)16-6-7-16;1-25(2)20(28)13-6-7-14-11-26(21(29)16(14)10-13)18-5-3-4-17(23-18)19-24-22-12-27(19)15-8-9-15;1-28-20(27)12-5-6-13-10-24(19(26)15(13)9-12)17-4-2-3-16(22-17)18-23-21-11-25(18)14-7-8-14;25-18-14-8-11(19(26)27)4-5-12(14)9-23(18)16-3-1-2-15(21-16)17-22-20-10-24(17)13-6-7-13;1-12-9-10-17-21-22-18(24(12)17)15-7-4-8-16(20-15)23-11-13-5-2-3-6-14(13)19(23)25;25-19-14-7-2-1-6-13(14)12-24(19)16-10-5-8-15(20-16)18-22-21-17-9-3-4-11-23(17)18;24-18-13-6-2-1-5-12(13)11-23(18)15-8-3-7-14(19-15)17-21-20-16-9-4-10-22(16)17/h1-3,8-9,12-13,16H,4-7,10-11H2;3-7,10,12,15H,8-9,11H2,1-2H3;2-6,9,11,14H,7-8,10H2,1H3;1-5,8,10,13H,6-7,9H2,(H,26,27);2-8,12H,9-11H2,1H3;1-2,5-8,10H,3-4,9,11-12H2;1-3,5-8H,4,9-11H2.
What are the key properties of 6-(2-cyclopropyl-2-oxoethyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N,N-dimethyl-3-oxo-1H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-oxo-1H-isoindole-5-carboxylic acid;2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;methyl 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-oxo-1H-isoindole-5-carboxylate;2-[6-(5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]-3H-isoindol-1-one?
6-(2-cyclopropyl-2-oxoethyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N,N-dimethyl-3-oxo-1H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-oxo-1H-isoindole-5-carboxylic acid;2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;methyl 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-oxo-1H-isoindole-5-carboxylate;2-[6-(5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]-3H-isoindol-1-one has a molecular weight of 2522.73 g/mol, XLogP of 19.48, 24 rotatable bonds, 1 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopropyl-2-oxoethyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N,N-dimethyl-3-oxo-1H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-oxo-1H-isoindole-5-carboxylic acid;2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;methyl 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-oxo-1H-isoindole-5-carboxylate;2-[6-(5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]-3H-isoindol-1-one is sourced from PubChem (CID 157119190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).