5-(4-acetylpiperazine-1-carbonyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;5-(azetidine-1-carbonyl)-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-(dimethylamino)piperidine-1-carbonyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(3-oxopiperazine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[4-(2-oxopropyl)piperidine-1-carbonyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(pyrrolidine-1-carbonyl)-3H-isoindol-1-one

C171H169N45O18 — CID 160930576

IUPAC5-(4-acetylpiperazine-1-carbonyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;5-(azetidine-1-carbonyl)-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-(dimethylamino)piperidine-1-carbonyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(3-oxopiperazine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[4-(2-oxopropyl)piperidine-1-carbonyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(pyrrolidine-1-carbonyl)-3H-isoindol-1-one
SMILESCC(=O)CC1CCN(C(=O)c2ccc3c(c2)CN(c2cccc(-c4nncn4C4CC4)n2)C3=O)CC1.CC(=O)N1CCN(C(=O)c2ccc3c(c2)CN(c2cccc(-c4nncn4C4CC4)n2)C3=O)CC1.CN(C)C1CCN(C(=O)c2ccc3c(c2)CN(c2cccc(-c4nncn4C4CC4)n2)C3=O)CC1.O=C(c1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O)N1CC2CCC(C1)O2.O=C(c1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O)N1CCC1.O=C(c1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O)N1CCCC1.O=C1CN(C(=O)c2ccc3c(c2)CN(c2cccc(-c4nncn4C4CC4)n2)C3=O)CCN1
InChIInChI=1S/C27H28N6O3.C26H29N7O2.C25H25N7O3.C25H24N6O3.C23H21N7O3.C23H22N6O2.C22H20N6O2/c1-17(34)13-18-9-11-31(12-10-18)26(35)19-5-8-22-20(14-19)15-32(27(22)36)24-4-2-3-23(29-24)25-30-28-16-33(25)21-6-7-21;1-30(2)19-10-12-31(13-11-19)25(34)17-6-9-21-18(14-17)15-32(26(21)35)23-5-3-4-22(28-23)24-29-27-16-33(24)20-7-8-20;1-16(33)29-9-11-30(12-10-29)24(34)17-5-8-20-18(13-17)14-31(25(20)35)22-4-2-3-21(27-22)23-28-26-15-32(23)19-6-7-19;32-24(29-12-18-7-8-19(13-29)34-18)15-4-9-20-16(10-15)11-30(25(20)33)22-3-1-2-21(27-22)23-28-26-14-31(23)17-5-6-17;31-20-12-28(9-8-24-20)22(32)14-4-7-17-15(10-14)11-29(23(17)33)19-3-1-2-18(26-19)21-27-25-13-30(21)16-5-6-16;30-22(27-10-1-2-11-27)15-6-9-18-16(12-15)13-28(23(18)31)20-5-3-4-19(25-20)21-26-24-14-29(21)17-7-8-17;29-21(26-9-2-10-26)14-5-8-17-15(11-14)12-27(22(17)30)19-4-1-3-18(24-19)20-25-23-13-28(20)16-6-7-16/h2-5,8,14,16,18,21H,6-7,9-13,15H2,1H3;3-6,9,14,16,19-20H,7-8,10-13,15H2,1-2H3;2-5,8,13,15,19H,6-7,9-12,14H2,1H3;1-4,9-10,14,17-19H,5-8,11-13H2;1-4,7,10,13,16H,5-6,8-9,11-12H2,(H,24,31);3-6,9,12,14,17H,1-2,7-8,10-11,13H2;1,3-5,8,11,13,16H,2,6-7,9-10,12H2
InChIKeySTFCAXXZRSAZHI-UHFFFAOYSA-N
MW3142.53 g/mol
LogP18.81
Rot. Bonds31

About 5-(4-acetylpiperazine-1-carbonyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;5-(azetidine-1-carbonyl)-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-(dimethylamino)piperidine-1-carbonyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(3-oxopiperazine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[4-(2-oxopropyl)piperidine-1-carbonyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(pyrrolidine-1-carbonyl)-3H-isoindol-1-one

5-(4-acetylpiperazine-1-carbonyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;5-(azetidine-1-carbonyl)-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-(dimethylamino)piperidine-1-carbonyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(3-oxopiperazine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[4-(2-oxopropyl)piperidine-1-carbonyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(pyrrolidine-1-carbonyl)-3H-isoindol-1-one (PubChem CID 160930576) has the molecular formula C171H169N45O18 and a molecular weight of 3142.53 g/mol. Its IUPAC name is 5-(4-acetylpiperazine-1-carbonyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;5-(azetidine-1-carbonyl)-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-(dimethylamino)piperidine-1-carbonyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(3-oxopiperazine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[4-(2-oxopropyl)piperidine-1-carbonyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(pyrrolidine-1-carbonyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name5-(4-acetylpiperazine-1-carbonyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;5-(azetidine-1-carbonyl)-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-(dimethylamino)piperidine-1-carbonyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(3-oxopiperazine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[4-(2-oxopropyl)piperidine-1-carbonyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(pyrrolidine-1-carbonyl)-3H-isoindol-1-one
PubChem CID160930576
Molecular FormulaC171H169N45O18
Molecular Weight3142.53 g/mol
Exact Mass3140.37
IUPAC Name5-(4-acetylpiperazine-1-carbonyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;5-(azetidine-1-carbonyl)-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-(dimethylamino)piperidine-1-carbonyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(3-oxopiperazine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[4-(2-oxopropyl)piperidine-1-carbonyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(pyrrolidine-1-carbonyl)-3H-isoindol-1-one
SMILESCC(=O)CC1CCN(C(=O)c2ccc3c(c2)CN(c2cccc(-c4nncn4C4CC4)n2)C3=O)CC1.CC(=O)N1CCN(C(=O)c2ccc3c(c2)CN(c2cccc(-c4nncn4C4CC4)n2)C3=O)CC1.CN(C)C1CCN(C(=O)c2ccc3c(c2)CN(c2cccc(-c4nncn4C4CC4)n2)C3=O)CC1.O=C(c1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O)N1CC2CCC(C1)O2.O=C(c1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O)N1CCC1.O=C(c1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O)N1CCCC1.O=C1CN(C(=O)c2ccc3c(c2)CN(c2cccc(-c4nncn4C4CC4)n2)C3=O)CCN1
InChIInChI=1S/C27H28N6O3.C26H29N7O2.C25H25N7O3.C25H24N6O3.C23H21N7O3.C23H22N6O2.C22H20N6O2/c1-17(34)13-18-9-11-31(12-10-18)26(35)19-5-8-22-20(14-19)15-32(27(22)36)24-4-2-3-23(29-24)25-30-28-16-33(25)21-6-7-21;1-30(2)19-10-12-31(13-11-19)25(34)17-6-9-21-18(14-17)15-32(26(21)35)23-5-3-4-22(28-23)24-29-27-16-33(24)20-7-8-20;1-16(33)29-9-11-30(12-10-29)24(34)17-5-8-20-18(13-17)14-31(25(20)35)22-4-2-3-21(27-22)23-28-26-15-32(23)19-6-7-19;32-24(29-12-18-7-8-19(13-29)34-18)15-4-9-20-16(10-15)11-30(25(20)33)22-3-1-2-21(27-22)23-28-26-14-31(23)17-5-6-17;31-20-12-28(9-8-24-20)22(32)14-4-7-17-15(10-14)11-29(23(17)33)19-3-1-2-18(26-19)21-27-25-13-30(21)16-5-6-16;30-22(27-10-1-2-11-27)15-6-9-18-16(12-15)13-28(23(18)31)20-5-3-4-19(25-20)21-26-24-14-29(21)17-7-8-17;29-21(26-9-2-10-26)14-5-8-17-15(11-14)12-27(22(17)30)19-4-1-3-18(24-19)20-25-23-13-28(20)16-6-7-16/h2-5,8,14,16,18,21H,6-7,9-13,15H2,1H3;3-6,9,14,16,19-20H,7-8,10-13,15H2,1-2H3;2-5,8,13,15,19H,6-7,9-12,14H2,1H3;1-4,9-10,14,17-19H,5-8,11-13H2;1-4,7,10,13,16H,5-6,8-9,11-12H2,(H,24,31);3-6,9,12,14,17H,1-2,7-8,10-11,13H2;1,3-5,8,11,13,16H,2,6-7,9-10,12H2
InChIKeySTFCAXXZRSAZHI-UHFFFAOYSA-N
XLogP18.81
TPSA668.49 Ų
H-Bond Donors1
H-Bond Acceptors47
Rotatable Bonds31
Heavy Atoms234
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003142.53
LogP ≤ 518.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1047

Analyze 5-(4-acetylpiperazine-1-carbonyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;5-(azetidine-1-carbonyl)-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-(dimethylamino)piperidine-1-carbonyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(3-oxopiperazine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[4-(2-oxopropyl)piperidine-1-carbonyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(pyrrolidine-1-carbonyl)-3H-isoindol-1-one with MolForge

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Launch Full Analysis

Related Compounds

4-(azetidin-1-yl)-2-methyl-5-propan-2-ylpyrimidine;2-(4-cyclopropyltriazol-1-yl)-5-propan-2-ylpyrimidine;2,4-dimethyl-5-propan-2-ylpyrimidine;2-[(2-methyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide;2-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-isoindol-1-one;2-phenyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyrimidine;4-(5-propan-2-ylpyrimidin-2-yl)benzamide;N-(5-propan-2-ylpyrimidin-2-yl)benzamide;4-(5-propan-2-ylpyrimidin-2-yl)-2,3-dihydroisoindol-1-one;4-[(5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine
CID 157609506
bis(N-[3-[3-cyano-3-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-2-cyclopropyl-6-methylpyrimidine-4-carboxamide);3-[3-[5-[[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)amino]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;1-methyl-3-[3-[5-[[(2R)-2-methylmorpholin-4-yl]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[[(2R)-2-methylmorpholin-4-yl]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile
CID 167600120
3-[3-[5-(5-azaspiro[2.4]heptan-5-ylmethyl)-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;bis(N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-2-cyclopropyl-6-methylpyrimidine-4-carboxamide);3-[3-[5-[(2-ethyl-1,4-oxazepan-4-yl)methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[[(2R)-2-methylmorpholin-4-yl]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-[3-[3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]cyclobutane-1-carbonitrile
CID 167605870
N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(2R)-2-methylmorpholin-4-yl]methyl]pyridine-2-carboxamide;N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide;3-[3-[7-methyl-5-[2-[(2R)-2-methylmorpholin-4-yl]propan-2-yl]-3-oxo-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile
CID 167664104
methyl (2S)-2-(cyclobutylmethylamino)-2-[2-[6-cyclopropyl-4-[(R)-(4-methyl-1,2,4-triazol-3-yl)-(oxetan-3-yl)methyl]-2-pyridinyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-5-yl]acetate;methyl (2R)-2-(cyclobutylmethylamino)-2-[2-[6-cyclopropyl-4-[(R)-(4-methyl-1,2,4-triazol-3-yl)-(oxetan-3-yl)methyl]-2-pyridinyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-5-yl]acetate;methyl (2S)-2-(cyclobutylmethylamino)-2-[2-[6-cyclopropyl-4-[(S)-(4-methyl-1,2,4-triazol-3-yl)-(oxetan-3-yl)methyl]-2-pyridinyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-5-yl]acetate;methyl (2R)-2-(cyclobutylmethylamino)-2-[2-[6-cyclopropyl-4-[(S)-(4-methyl-1,2,4-triazol-3-yl)-(oxetan-3-yl)methyl]-2-pyridinyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-5-yl]acetate
CID 178261508
2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N,N-dimethyl-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-imidazol-1-ylbutanoyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-methoxybutanoyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1-methylpyrazol-3-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(morpholine-4-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-propanoyl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(pyrazole-1-carbonyl)-3H-isoindol-1-one
CID 157186720
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
N-butyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-(cyclopropylmethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-ethyl-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-(2-methoxyethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;N-cyclopropyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;N-cyclopropyl-4-methyl-3-[[5-methyl-6-(pyridine-2-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide;methane
CID 157223155
CID 157738596
CID 157738596
4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(3-morpholin-4-ylpropyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;bis(4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(oxolan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide);4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 157952393
4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-(3-methoxypropyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;bis(4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(oxolan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide);4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 158687047
N-[(2S)-butan-2-yl]-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(2-methylpropyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(oxolan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;methane
CID 159421481

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylpiperazine-1-carbonyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;5-(azetidine-1-carbonyl)-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-(dimethylamino)piperidine-1-carbonyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(3-oxopiperazine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[4-(2-oxopropyl)piperidine-1-carbonyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(pyrrolidine-1-carbonyl)-3H-isoindol-1-one?
The IUPAC name of 5-(4-acetylpiperazine-1-carbonyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;5-(azetidine-1-carbonyl)-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-(dimethylamino)piperidine-1-carbonyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(3-oxopiperazine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[4-(2-oxopropyl)piperidine-1-carbonyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(pyrrolidine-1-carbonyl)-3H-isoindol-1-one (CID 160930576) is 5-(4-acetylpiperazine-1-carbonyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;5-(azetidine-1-carbonyl)-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-(dimethylamino)piperidine-1-carbonyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(3-oxopiperazine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[4-(2-oxopropyl)piperidine-1-carbonyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(pyrrolidine-1-carbonyl)-3H-isoindol-1-one.
What is the SMILES notation for 5-(4-acetylpiperazine-1-carbonyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;5-(azetidine-1-carbonyl)-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-(dimethylamino)piperidine-1-carbonyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(3-oxopiperazine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[4-(2-oxopropyl)piperidine-1-carbonyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(pyrrolidine-1-carbonyl)-3H-isoindol-1-one?
The canonical SMILES for 5-(4-acetylpiperazine-1-carbonyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;5-(azetidine-1-carbonyl)-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-(dimethylamino)piperidine-1-carbonyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(3-oxopiperazine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[4-(2-oxopropyl)piperidine-1-carbonyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(pyrrolidine-1-carbonyl)-3H-isoindol-1-one is CC(=O)CC1CCN(C(=O)c2ccc3c(c2)CN(c2cccc(-c4nncn4C4CC4)n2)C3=O)CC1.CC(=O)N1CCN(C(=O)c2ccc3c(c2)CN(c2cccc(-c4nncn4C4CC4)n2)C3=O)CC1.CN(C)C1CCN(C(=O)c2ccc3c(c2)CN(c2cccc(-c4nncn4C4CC4)n2)C3=O)CC1.O=C(c1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O)N1CC2CCC(C1)O2.O=C(c1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O)N1CCC1.O=C(c1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O)N1CCCC1.O=C1CN(C(=O)c2ccc3c(c2)CN(c2cccc(-c4nncn4C4CC4)n2)C3=O)CCN1.
What is the InChIKey of 5-(4-acetylpiperazine-1-carbonyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;5-(azetidine-1-carbonyl)-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-(dimethylamino)piperidine-1-carbonyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(3-oxopiperazine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[4-(2-oxopropyl)piperidine-1-carbonyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(pyrrolidine-1-carbonyl)-3H-isoindol-1-one?
The InChIKey is STFCAXXZRSAZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O3.C26H29N7O2.C25H25N7O3.C25H24N6O3.C23H21N7O3.C23H22N6O2.C22H20N6O2/c1-17(34)13-18-9-11-31(12-10-18)26(35)19-5-8-22-20(14-19)15-32(27(22)36)24-4-2-3-23(29-24)25-30-28-16-33(25)21-6-7-21;1-30(2)19-10-12-31(13-11-19)25(34)17-6-9-21-18(14-17)15-32(26(21)35)23-5-3-4-22(28-23)24-29-27-16-33(24)20-7-8-20;1-16(33)29-9-11-30(12-10-29)24(34)17-5-8-20-18(13-17)14-31(25(20)35)22-4-2-3-21(27-22)23-28-26-15-32(23)19-6-7-19;32-24(29-12-18-7-8-19(13-29)34-18)15-4-9-20-16(10-15)11-30(25(20)33)22-3-1-2-21(27-22)23-28-26-14-31(23)17-5-6-17;31-20-12-28(9-8-24-20)22(32)14-4-7-17-15(10-14)11-29(23(17)33)19-3-1-2-18(26-19)21-27-25-13-30(21)16-5-6-16;30-22(27-10-1-2-11-27)15-6-9-18-16(12-15)13-28(23(18)31)20-5-3-4-19(25-20)21-26-24-14-29(21)17-7-8-17;29-21(26-9-2-10-26)14-5-8-17-15(11-14)12-27(22(17)30)19-4-1-3-18(24-19)20-25-23-13-28(20)16-6-7-16/h2-5,8,14,16,18,21H,6-7,9-13,15H2,1H3;3-6,9,14,16,19-20H,7-8,10-13,15H2,1-2H3;2-5,8,13,15,19H,6-7,9-12,14H2,1H3;1-4,9-10,14,17-19H,5-8,11-13H2;1-4,7,10,13,16H,5-6,8-9,11-12H2,(H,24,31);3-6,9,12,14,17H,1-2,7-8,10-11,13H2;1,3-5,8,11,13,16H,2,6-7,9-10,12H2.
What are the key properties of 5-(4-acetylpiperazine-1-carbonyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;5-(azetidine-1-carbonyl)-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-(dimethylamino)piperidine-1-carbonyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(3-oxopiperazine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[4-(2-oxopropyl)piperidine-1-carbonyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(pyrrolidine-1-carbonyl)-3H-isoindol-1-one?
5-(4-acetylpiperazine-1-carbonyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;5-(azetidine-1-carbonyl)-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-(dimethylamino)piperidine-1-carbonyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(3-oxopiperazine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[4-(2-oxopropyl)piperidine-1-carbonyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(pyrrolidine-1-carbonyl)-3H-isoindol-1-one has a molecular weight of 3142.53 g/mol, XLogP of 18.81, 31 rotatable bonds, 1 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylpiperazine-1-carbonyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;5-(azetidine-1-carbonyl)-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-(dimethylamino)piperidine-1-carbonyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(3-oxopiperazine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[4-(2-oxopropyl)piperidine-1-carbonyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(pyrrolidine-1-carbonyl)-3H-isoindol-1-one is sourced from PubChem (CID 160930576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).