3-anilino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;2-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide;1-(4-methylphenyl)sulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrrole-3-carboxamide;N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]-2-phenylbenzamide

C133H130F3N35O12S — CID 160933336

IUPAC3-anilino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;2-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide;1-(4-methylphenyl)sulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrrole-3-carboxamide;N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]-2-phenylbenzamide
SMILESCc1ccc(S(=O)(=O)n2ccc(C(=O)Nc3cn[nH]c3-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c2)cc1.Cc1nc(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c(C(F)(F)F)[nH]1.O=C(Nc1c[nH]cc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccccc1-c1ccccc1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccccc1NCc1ccccc1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ncccc1Nc1ccccc1
InChIInChI=1S/C29H29N7O2.C29H27N5O2.C27H26N8O2.C27H27N7O4S.C21H21F3N8O2/c37-29(22-8-4-5-9-23(22)30-17-20-6-2-1-3-7-20)34-26-18-31-35-27(26)28-32-24-11-10-21(16-25(24)33-28)19-36-12-14-38-15-13-36;35-29(23-9-5-4-8-22(23)21-6-2-1-3-7-21)33-27-18-30-17-24(27)28-31-25-11-10-20(16-26(25)32-28)19-34-12-14-36-15-13-34;36-27(25-21(7-4-10-28-25)30-19-5-2-1-3-6-19)33-23-16-29-34-24(23)26-31-20-9-8-18(15-22(20)32-26)17-35-11-13-37-14-12-35;1-18-2-5-21(6-3-18)39(36,37)34-9-8-20(17-34)27(35)31-24-15-28-32-25(24)26-29-22-7-4-19(14-23(22)30-26)16-33-10-12-38-13-11-33;1-11-26-17(18(27-11)21(22,23)24)20(33)30-15-9-25-31-16(15)19-28-13-3-2-12(8-14(13)29-19)10-32-4-6-34-7-5-32/h1-11,16,18,30H,12-15,17,19H2,(H,31,35)(H,32,33)(H,34,37);1-11,16-18,30H,12-15,19H2,(H,31,32)(H,33,35);1-10,15-16,30H,11-14,17H2,(H,29,34)(H,31,32)(H,33,36);2-9,14-15,17H,10-13,16H2,1H3,(H,28,32)(H,29,30)(H,31,35);2-3,8-9H,4-7,10H2,1H3,(H,25,31)(H,26,27)(H,28,29)(H,30,33)
InChIKeySTNYFVGYQQEPSM-UHFFFAOYSA-N
MW2499.80 g/mol
LogP20.61
Rot. Bonds33

About 3-anilino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;2-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide;1-(4-methylphenyl)sulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrrole-3-carboxamide;N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]-2-phenylbenzamide

3-anilino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;2-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide;1-(4-methylphenyl)sulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrrole-3-carboxamide;N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]-2-phenylbenzamide (PubChem CID 160933336) has the molecular formula C133H130F3N35O12S and a molecular weight of 2499.80 g/mol. Its IUPAC name is 3-anilino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;2-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide;1-(4-methylphenyl)sulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrrole-3-carboxamide;N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]-2-phenylbenzamide.

Molecular Properties

Compound Name3-anilino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;2-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide;1-(4-methylphenyl)sulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrrole-3-carboxamide;N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]-2-phenylbenzamide
PubChem CID160933336
Molecular FormulaC133H130F3N35O12S
Molecular Weight2499.80 g/mol
Exact Mass2498.03
IUPAC Name3-anilino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;2-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide;1-(4-methylphenyl)sulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrrole-3-carboxamide;N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]-2-phenylbenzamide
SMILESCc1ccc(S(=O)(=O)n2ccc(C(=O)Nc3cn[nH]c3-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c2)cc1.Cc1nc(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c(C(F)(F)F)[nH]1.O=C(Nc1c[nH]cc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccccc1-c1ccccc1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccccc1NCc1ccccc1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ncccc1Nc1ccccc1
InChIInChI=1S/C29H29N7O2.C29H27N5O2.C27H26N8O2.C27H27N7O4S.C21H21F3N8O2/c37-29(22-8-4-5-9-23(22)30-17-20-6-2-1-3-7-20)34-26-18-31-35-27(26)28-32-24-11-10-21(16-25(24)33-28)19-36-12-14-38-15-13-36;35-29(23-9-5-4-8-22(23)21-6-2-1-3-7-21)33-27-18-30-17-24(27)28-31-25-11-10-20(16-26(25)32-28)19-34-12-14-36-15-13-34;36-27(25-21(7-4-10-28-25)30-19-5-2-1-3-6-19)33-23-16-29-34-24(23)26-31-20-9-8-18(15-22(20)32-26)17-35-11-13-37-14-12-35;1-18-2-5-21(6-3-18)39(36,37)34-9-8-20(17-34)27(35)31-24-15-28-32-25(24)26-29-22-7-4-19(14-23(22)30-26)16-33-10-12-38-13-11-33;1-11-26-17(18(27-11)21(22,23)24)20(33)30-15-9-25-31-16(15)19-28-13-3-2-12(8-14(13)29-19)10-32-4-6-34-7-5-32/h1-11,16,18,30H,12-15,17,19H2,(H,31,35)(H,32,33)(H,34,37);1-11,16-18,30H,12-15,19H2,(H,31,32)(H,33,35);1-10,15-16,30H,11-14,17H2,(H,29,34)(H,31,32)(H,33,36);2-9,14-15,17H,10-13,16H2,1H3,(H,28,32)(H,29,30)(H,31,35);2-3,8-9H,4-7,10H2,1H3,(H,25,31)(H,26,27)(H,28,29)(H,30,33)
InChIKeySTNYFVGYQQEPSM-UHFFFAOYSA-N
XLogP20.61
TPSA586.46 Ų
H-Bond Donors18
H-Bond Acceptors31
Rotatable Bonds33
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002499.80
LogP ≤ 520.61
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1031

Analyze 3-anilino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;2-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide;1-(4-methylphenyl)sulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrrole-3-carboxamide;N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]-2-phenylbenzamide with MolForge

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Related Compounds

N-[(2S)-1-[2-[2-[2-[2-[2-[[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-1-oxopropan-2-yl]-6-[[3-[[3-(5-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]methylamino]-1H-indazole-3-carboxamide
CID 155661141
N-[(2S)-1-[2-[2-[2-[[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]benzoyl]amino]ethoxy]ethoxy]ethylamino]-1-oxopropan-2-yl]-6-[[3-[[3-(5-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]methylamino]-1H-indazole-3-carboxamide
CID 155661152
2-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;tert-butyl 4-[[5-(6-ethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]carbamoyl]piperidine-1-carboxylate;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylbenzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 157066875
5-(5-amino-3-pyridinyl)-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(dimethylamino)-3-pyridinyl]-1H-indole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;ethoxyethane
CID 157154090
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(methyl-methylidene-oxo-lambda6-sulfanyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(methyl-methylidene-oxo-lambda6-sulfanyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 157447169
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157458865
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157470632
2-(3-acetylindol-1-yl)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-4,4,4-trifluorobutanamide;(4R)-1-[3,5-bis(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(4-piperidin-1-ylsulfonylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylbenzimidazol-1-yl)-4,4,4-trifluorobutanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157538298
6-(2-cyanopropan-2-yl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridazine-4-carboxamide;2-(difluoromethyl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide;N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 157569446
1,3-dimethyl-N-[6-methyl-5-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-6-yl)-3-pyridinyl]pyrazole-4-carboxamide;1-ethyl-3-methyl-N-[6-methyl-5-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-6-yl)-3-pyridinyl]pyrazole-4-carboxamide;N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(7-morpholin-4-yl-3H-benzimidazol-5-yl)-3-pyridinyl]-3-methylsulfonylbenzamide;N-[4-methyl-3-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 157659753
2,6-difluoro-N-[5-[4-fluoro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(4-oxo-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-2-yl)-1H-pyrazol-4-yl]benzamide;4-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cinnoline-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylacetamide
CID 157708135
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157778058

Frequently Asked Questions

What is the IUPAC name of 3-anilino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;2-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide;1-(4-methylphenyl)sulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrrole-3-carboxamide;N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]-2-phenylbenzamide?
The IUPAC name of 3-anilino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;2-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide;1-(4-methylphenyl)sulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrrole-3-carboxamide;N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]-2-phenylbenzamide (CID 160933336) is 3-anilino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;2-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide;1-(4-methylphenyl)sulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrrole-3-carboxamide;N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]-2-phenylbenzamide.
What is the SMILES notation for 3-anilino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;2-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide;1-(4-methylphenyl)sulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrrole-3-carboxamide;N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]-2-phenylbenzamide?
The canonical SMILES for 3-anilino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;2-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide;1-(4-methylphenyl)sulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrrole-3-carboxamide;N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]-2-phenylbenzamide is Cc1ccc(S(=O)(=O)n2ccc(C(=O)Nc3cn[nH]c3-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c2)cc1.Cc1nc(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c(C(F)(F)F)[nH]1.O=C(Nc1c[nH]cc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccccc1-c1ccccc1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccccc1NCc1ccccc1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ncccc1Nc1ccccc1.
What is the InChIKey of 3-anilino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;2-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide;1-(4-methylphenyl)sulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrrole-3-carboxamide;N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]-2-phenylbenzamide?
The InChIKey is STNYFVGYQQEPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N7O2.C29H27N5O2.C27H26N8O2.C27H27N7O4S.C21H21F3N8O2/c37-29(22-8-4-5-9-23(22)30-17-20-6-2-1-3-7-20)34-26-18-31-35-27(26)28-32-24-11-10-21(16-25(24)33-28)19-36-12-14-38-15-13-36;35-29(23-9-5-4-8-22(23)21-6-2-1-3-7-21)33-27-18-30-17-24(27)28-31-25-11-10-20(16-26(25)32-28)19-34-12-14-36-15-13-34;36-27(25-21(7-4-10-28-25)30-19-5-2-1-3-6-19)33-23-16-29-34-24(23)26-31-20-9-8-18(15-22(20)32-26)17-35-11-13-37-14-12-35;1-18-2-5-21(6-3-18)39(36,37)34-9-8-20(17-34)27(35)31-24-15-28-32-25(24)26-29-22-7-4-19(14-23(22)30-26)16-33-10-12-38-13-11-33;1-11-26-17(18(27-11)21(22,23)24)20(33)30-15-9-25-31-16(15)19-28-13-3-2-12(8-14(13)29-19)10-32-4-6-34-7-5-32/h1-11,16,18,30H,12-15,17,19H2,(H,31,35)(H,32,33)(H,34,37);1-11,16-18,30H,12-15,19H2,(H,31,32)(H,33,35);1-10,15-16,30H,11-14,17H2,(H,29,34)(H,31,32)(H,33,36);2-9,14-15,17H,10-13,16H2,1H3,(H,28,32)(H,29,30)(H,31,35);2-3,8-9H,4-7,10H2,1H3,(H,25,31)(H,26,27)(H,28,29)(H,30,33).
What are the key properties of 3-anilino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;2-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide;1-(4-methylphenyl)sulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrrole-3-carboxamide;N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]-2-phenylbenzamide?
3-anilino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;2-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide;1-(4-methylphenyl)sulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrrole-3-carboxamide;N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]-2-phenylbenzamide has a molecular weight of 2499.80 g/mol, XLogP of 20.61, 33 rotatable bonds, 18 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;2-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide;1-(4-methylphenyl)sulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrrole-3-carboxamide;N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]-2-phenylbenzamide is sourced from PubChem (CID 160933336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).