2-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-[2-(dimethylamino)ethyl]-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide

C133H139N49O11 — CID 157271060

IUPAC2-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-[2-(dimethylamino)ethyl]-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
SMILESCN(C)CCn1c(=O)n(-c2nccc(C(=O)Nc3cnccc3N3CCNCC3)n2)c2ccccc21.COc1cccc(N2CCN(c3nccc(C(=O)Nc4cnccc4N4CCNCC4)n3)C2=O)c1.COc1cccc2c1CN(c1nccc(C(=O)Nc3cnccc3N3CCNCC3)n1)C2=O.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-n2cnc3ccccc32)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-n2ncc3ccccc32)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(N2Cc3cn[nH]c3C2)n1
InChIInChI=1S/C25H29N9O2.C24H26N8O3.C23H23N7O3.2C21H20N8O.C19H21N9O/c1-31(2)15-16-33-21-5-3-4-6-22(21)34(25(33)36)24-28-10-7-18(30-24)23(35)29-19-17-27-9-8-20(19)32-13-11-26-12-14-32;1-35-18-4-2-3-17(15-18)31-13-14-32(24(31)34)23-27-8-5-19(29-23)22(33)28-20-16-26-7-6-21(20)30-11-9-25-10-12-30;1-33-20-4-2-3-15-16(20)14-30(22(15)32)23-26-8-5-17(28-23)21(31)27-18-13-25-7-6-19(18)29-11-9-24-10-12-29;30-20(26-17-13-23-7-6-18(17)28-11-9-22-10-12-28)16-5-8-24-21(27-16)29-14-25-15-3-1-2-4-19(15)29;30-20(26-17-14-23-7-6-19(17)28-11-9-22-10-12-28)16-5-8-24-21(27-16)29-18-4-2-1-3-15(18)13-25-29;29-18(24-15-10-21-3-2-17(15)27-7-5-20-6-8-27)14-1-4-22-19(25-14)28-11-13-9-23-26-16(13)12-28/h3-10,17,26H,11-16H2,1-2H3,(H,29,35);2-8,15-16,25H,9-14H2,1H3,(H,28,33);2-8,13,24H,9-12,14H2,1H3,(H,27,31);2*1-8,13-14,22H,9-12H2,(H,26,30);1-4,9-10,20H,5-8,11-12H2,(H,23,26)(H,24,29)
InChIKeyAYNUYGOYMXNXHQ-UHFFFAOYSA-N
MW2599.91 g/mol
LogP9.41
Rot. Bonds30

About 2-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-[2-(dimethylamino)ethyl]-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide

2-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-[2-(dimethylamino)ethyl]-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide (PubChem CID 157271060) has the molecular formula C133H139N49O11 and a molecular weight of 2599.91 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-[2-(dimethylamino)ethyl]-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-[2-(dimethylamino)ethyl]-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
PubChem CID157271060
Molecular FormulaC133H139N49O11
Molecular Weight2599.91 g/mol
Exact Mass2598.18
IUPAC Name2-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-[2-(dimethylamino)ethyl]-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
SMILESCN(C)CCn1c(=O)n(-c2nccc(C(=O)Nc3cnccc3N3CCNCC3)n2)c2ccccc21.COc1cccc(N2CCN(c3nccc(C(=O)Nc4cnccc4N4CCNCC4)n3)C2=O)c1.COc1cccc2c1CN(c1nccc(C(=O)Nc3cnccc3N3CCNCC3)n1)C2=O.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-n2cnc3ccccc32)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-n2ncc3ccccc32)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(N2Cc3cn[nH]c3C2)n1
InChIInChI=1S/C25H29N9O2.C24H26N8O3.C23H23N7O3.2C21H20N8O.C19H21N9O/c1-31(2)15-16-33-21-5-3-4-6-22(21)34(25(33)36)24-28-10-7-18(30-24)23(35)29-19-17-27-9-8-20(19)32-13-11-26-12-14-32;1-35-18-4-2-3-17(15-18)31-13-14-32(24(31)34)23-27-8-5-19(29-23)22(33)28-20-16-26-7-6-21(20)30-11-9-25-10-12-30;1-33-20-4-2-3-15-16(20)14-30(22(15)32)23-26-8-5-17(28-23)21(31)27-18-13-25-7-6-19(18)29-11-9-24-10-12-29;30-20(26-17-13-23-7-6-18(17)28-11-9-22-10-12-28)16-5-8-24-21(27-16)29-14-25-15-3-1-2-4-19(15)29;30-20(26-17-14-23-7-6-19(17)28-11-9-22-10-12-28)16-5-8-24-21(27-16)29-18-4-2-1-3-15(18)13-25-29;29-18(24-15-10-21-3-2-17(15)27-7-5-20-6-8-27)14-1-4-22-19(25-14)28-11-13-9-23-26-16(13)12-28/h3-10,17,26H,11-16H2,1-2H3,(H,29,35);2-8,15-16,25H,9-14H2,1H3,(H,28,33);2-8,13,24H,9-12,14H2,1H3,(H,27,31);2*1-8,13-14,22H,9-12H2,(H,26,30);1-4,9-10,20H,5-8,11-12H2,(H,23,26)(H,24,29)
InChIKeyAYNUYGOYMXNXHQ-UHFFFAOYSA-N
XLogP9.41
TPSA658.29 Ų
H-Bond Donors13
H-Bond Acceptors50
Rotatable Bonds30
Heavy Atoms193
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002599.91
LogP ≤ 59.41
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1050

Analyze 2-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-[2-(dimethylamino)ethyl]-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-[4-[4-[5-[4-[3-[4-[4-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-2-oxoethyl]piperazin-1-yl]phenyl]-5-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-d]pyrimidin-1-yl]-2-fluoro-6-methoxyphenyl]-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]piperazin-1-yl]-N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]acetamide
CID 155281213
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;(2S)-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 157177910
5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide;dimethyl-[[6-[1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]methylidene]azanium;dimethyl-[[6-[1-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]methylidene]azanium;ethane;5-[[6-[[hydroxy(methyl)amino]methylidene]-1H-pyrimidin-4-yl]oxy]-N-[5-(trifluoromethyl)pyrazol-3-ylidene]indole-1-carboxamide;5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indole-1-carboxamide
CID 157313118
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(ethylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3H-indol-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-(trifluoromethoxy)-2-(trifluoromethyl)benzimidazol-1-yl]pentan-2-one;(4S)-4-[5-(3-acetylphenyl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one
CID 157339716
5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(3-methoxyazetidine-1-carbonyl)-3-propan-2-ylpyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-2-(6-fluoro-2-methyl-3H-inden-1-yl)acetamide;(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 157400906
(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4,4-difluoro-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]pentan-2-one;5-[2-[(1S)-1-[[2-(5,6-difluoro-1H-indol-3-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-2-(4-methyl-1H-indol-3-yl)acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-propan-2-ylimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 158559356
5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(3-methoxyazetidine-1-carbonyl)-3-propan-2-ylpyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;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 158659207
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7,7-difluoro-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(ethylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carboxamide;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-(trifluoromethoxy)-2-(trifluoromethyl)benzimidazol-1-yl]pentan-2-one;(4S)-4-[5-(3-acetylphenyl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one
CID 158979127
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-ethyl-2-pyridinyl)methanone;(2-fluoro-6-methoxyphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(3-fluoro-6-methoxy-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[5-fluoro-2-(trifluoromethyl)phenyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;1H-indazol-4-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 159007580
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(ethylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3H-indol-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-(trifluoromethoxy)-2-(trifluoromethyl)benzimidazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one
CID 159057274
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone;(5-ethyl-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(3-fluoro-6-methoxy-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[5-fluoro-2-(trifluoromethyl)phenyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;1H-indazol-4-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 159520098
(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4,4-difluoro-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]pentan-2-one;5-[2-[(1S)-1-[[2-(5,6-difluoro-1H-indol-3-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-(5,7-difluoro-1H-indol-3-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-2-(4-methyl-1H-indol-3-yl)acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-propan-2-ylimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 160065070

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-[2-(dimethylamino)ethyl]-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-[2-(dimethylamino)ethyl]-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide (CID 157271060) is 2-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-[2-(dimethylamino)ethyl]-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-[2-(dimethylamino)ethyl]-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-[2-(dimethylamino)ethyl]-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide is CN(C)CCn1c(=O)n(-c2nccc(C(=O)Nc3cnccc3N3CCNCC3)n2)c2ccccc21.COc1cccc(N2CCN(c3nccc(C(=O)Nc4cnccc4N4CCNCC4)n3)C2=O)c1.COc1cccc2c1CN(c1nccc(C(=O)Nc3cnccc3N3CCNCC3)n1)C2=O.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-n2cnc3ccccc32)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-n2ncc3ccccc32)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(N2Cc3cn[nH]c3C2)n1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-[2-(dimethylamino)ethyl]-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide?
The InChIKey is AYNUYGOYMXNXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N9O2.C24H26N8O3.C23H23N7O3.2C21H20N8O.C19H21N9O/c1-31(2)15-16-33-21-5-3-4-6-22(21)34(25(33)36)24-28-10-7-18(30-24)23(35)29-19-17-27-9-8-20(19)32-13-11-26-12-14-32;1-35-18-4-2-3-17(15-18)31-13-14-32(24(31)34)23-27-8-5-19(29-23)22(33)28-20-16-26-7-6-21(20)30-11-9-25-10-12-30;1-33-20-4-2-3-15-16(20)14-30(22(15)32)23-26-8-5-17(28-23)21(31)27-18-13-25-7-6-19(18)29-11-9-24-10-12-29;30-20(26-17-13-23-7-6-18(17)28-11-9-22-10-12-28)16-5-8-24-21(27-16)29-14-25-15-3-1-2-4-19(15)29;30-20(26-17-14-23-7-6-19(17)28-11-9-22-10-12-28)16-5-8-24-21(27-16)29-18-4-2-1-3-15(18)13-25-29;29-18(24-15-10-21-3-2-17(15)27-7-5-20-6-8-27)14-1-4-22-19(25-14)28-11-13-9-23-26-16(13)12-28/h3-10,17,26H,11-16H2,1-2H3,(H,29,35);2-8,15-16,25H,9-14H2,1H3,(H,28,33);2-8,13,24H,9-12,14H2,1H3,(H,27,31);2*1-8,13-14,22H,9-12H2,(H,26,30);1-4,9-10,20H,5-8,11-12H2,(H,23,26)(H,24,29).
What are the key properties of 2-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-[2-(dimethylamino)ethyl]-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide?
2-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-[2-(dimethylamino)ethyl]-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide has a molecular weight of 2599.91 g/mol, XLogP of 9.41, 30 rotatable bonds, 13 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-[2-(dimethylamino)ethyl]-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-(3-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 157271060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).