N-[3-[[(3R)-3-(aminomethyl)piperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide

C116H131N19O9 — CID 159233561

IUPACN-[3-[[(3R)-3-(aminomethyl)piperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide
SMILESCc1ccn(-c2cc(CN3CCC(O)C(C)C3)cc(NC(=O)c3ccc4c(C)[nH]nc4c3)c2)c1.Cc1ccn(-c2cc(CN3CCC(O)C(C)C3)cc(NC(=O)c3ccc4nc(CCO)[nH]c4c3)c2)c1.Cc1ccn(-c2cc(CN3CC[C@H](N)C3)cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)c2)c1.Cc1cn(-c2cc(CN3CCC[C@H](CN)C3)cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)c2)cn1
InChIInChI=1S/C31H35N5O2.C30H32N4O2.C28H33N5O3.C27H31N5O2/c1-22-10-11-26(15-30(22)38-29-8-4-3-5-9-29)31(37)34-27-13-25(20-35-12-6-7-24(17-32)19-35)14-28(16-27)36-18-23(2)33-21-36;1-21-10-13-34(18-21)27-15-23(19-33-12-11-25(31)20-33)14-26(17-27)32-30(35)24-9-8-22(2)29(16-24)36-28-6-4-3-5-7-28;1-18-5-9-33(15-18)23-12-20(17-32-8-6-26(35)19(2)16-32)11-22(14-23)29-28(36)21-3-4-24-25(13-21)31-27(30-24)7-10-34;1-17-6-9-32(14-17)23-11-20(16-31-8-7-26(33)18(2)15-31)10-22(13-23)28-27(34)21-4-5-24-19(3)29-30-25(24)12-21/h3-5,8-11,13-16,18,21,24H,6-7,12,17,19-20,32H2,1-2H3,(H,34,37);3-10,13-18,25H,11-12,19-20,31H2,1-2H3,(H,32,35);3-5,9,11-15,19,26,34-35H,6-8,10,16-17H2,1-2H3,(H,29,36)(H,30,31);4-6,9-14,18,26,33H,7-8,15-16H2,1-3H3,(H,28,34)(H,29,30)/t24-;25-;;/m10../s1
InChIKeyKTEUFTZCAOCMIX-OAVKWVNPSA-N
MW1935.45 g/mol
LogP19.45
Rot. Bonds27

About N-[3-[[(3R)-3-(aminomethyl)piperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide

N-[3-[[(3R)-3-(aminomethyl)piperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide (PubChem CID 159233561) has the molecular formula C116H131N19O9 and a molecular weight of 1935.45 g/mol. Its IUPAC name is N-[3-[[(3R)-3-(aminomethyl)piperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide.

Molecular Properties

Compound NameN-[3-[[(3R)-3-(aminomethyl)piperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide
PubChem CID159233561
Molecular FormulaC116H131N19O9
Molecular Weight1935.45 g/mol
Exact Mass1934.04
IUPAC NameN-[3-[[(3R)-3-(aminomethyl)piperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide
SMILESCc1ccn(-c2cc(CN3CCC(O)C(C)C3)cc(NC(=O)c3ccc4c(C)[nH]nc4c3)c2)c1.Cc1ccn(-c2cc(CN3CCC(O)C(C)C3)cc(NC(=O)c3ccc4nc(CCO)[nH]c4c3)c2)c1.Cc1ccn(-c2cc(CN3CC[C@H](N)C3)cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)c2)c1.Cc1cn(-c2cc(CN3CCC[C@H](CN)C3)cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)c2)cn1
InChIInChI=1S/C31H35N5O2.C30H32N4O2.C28H33N5O3.C27H31N5O2/c1-22-10-11-26(15-30(22)38-29-8-4-3-5-9-29)31(37)34-27-13-25(20-35-12-6-7-24(17-32)19-35)14-28(16-27)36-18-23(2)33-21-36;1-21-10-13-34(18-21)27-15-23(19-33-12-11-25(31)20-33)14-26(17-27)32-30(35)24-9-8-22(2)29(16-24)36-28-6-4-3-5-7-28;1-18-5-9-33(15-18)23-12-20(17-32-8-6-26(35)19(2)16-32)11-22(14-23)29-28(36)21-3-4-24-25(13-21)31-27(30-24)7-10-34;1-17-6-9-32(14-17)23-11-20(16-31-8-7-26(33)18(2)15-31)10-22(13-23)28-27(34)21-4-5-24-19(3)29-30-25(24)12-21/h3-5,8-11,13-16,18,21,24H,6-7,12,17,19-20,32H2,1-2H3,(H,34,37);3-10,13-18,25H,11-12,19-20,31H2,1-2H3,(H,32,35);3-5,9,11-15,19,26,34-35H,6-8,10,16-17H2,1-2H3,(H,29,36)(H,30,31);4-6,9-14,18,26,33H,7-8,15-16H2,1-3H3,(H,28,34)(H,29,30)/t24-;25-;;/m10../s1
InChIKeyKTEUFTZCAOCMIX-OAVKWVNPSA-N
XLogP19.45
TPSA350.52 Ų
H-Bond Donors11
H-Bond Acceptors22
Rotatable Bonds27
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001935.45
LogP ≤ 519.45
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1022

Analyze N-[3-[[(3R)-3-(aminomethyl)piperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide with MolForge

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Related Compounds

N-[5-[7-[4-[2-[(4Z,5E)-4-[(E)-2-[5-[(dimethylamino)methyl]-3-pyridinyl]-1-fluorobut-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]furan-3-yl]-4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 145034162
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-4-yl-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-pyridin-4-yl-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-pyridin-4-yl-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-pyridin-4-yl-1H-indazole-3-carboxamide
CID 157102765
N-[3-[[2-(furan-3-yl)-9-methylpurin-6-yl]amino]-4-methylphenyl]-3-(trifluoromethoxy)benzamide;N-[4-methyl-3-[(9-methyl-2-pyridin-4-ylpurin-6-yl)amino]phenyl]-3-(trifluoromethoxy)benzamide;4-methyl-3-[[2-(1H-pyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;2-[4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 157248494
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;N-[5-[(dimethylamino)methyl]-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[5-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157405004
methyl 2-[[2-fluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-(1H-indazol-6-ylmethoxy)-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(2-methoxy-3-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(1R)-1-phenylethoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(1S)-1-phenylethoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate
CID 157634809
2-[[7-[6-(2,2-difluoropropoxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(1,5-dimethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 158066669
2,6-difluoro-N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-[(3-morpholin-4-ylpropylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-fluoro-6-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-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]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(trifluoromethoxy)benzamide
CID 158072187
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 158328338
(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
2-[[7-[6-(2,2-difluoropropoxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(1,5-dimethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 158842506
2,6-difluoro-N-[5-[6-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-2-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]ethanone;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;2,4,6-trifluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
CID 158953388
4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;4-methyl-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;4-methyl-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxy-N-phenylbenzamide
CID 158968858

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3R)-3-(aminomethyl)piperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide?
The IUPAC name of N-[3-[[(3R)-3-(aminomethyl)piperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide (CID 159233561) is N-[3-[[(3R)-3-(aminomethyl)piperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide.
What is the SMILES notation for N-[3-[[(3R)-3-(aminomethyl)piperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide?
The canonical SMILES for N-[3-[[(3R)-3-(aminomethyl)piperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide is Cc1ccn(-c2cc(CN3CCC(O)C(C)C3)cc(NC(=O)c3ccc4c(C)[nH]nc4c3)c2)c1.Cc1ccn(-c2cc(CN3CCC(O)C(C)C3)cc(NC(=O)c3ccc4nc(CCO)[nH]c4c3)c2)c1.Cc1ccn(-c2cc(CN3CC[C@H](N)C3)cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)c2)c1.Cc1cn(-c2cc(CN3CCC[C@H](CN)C3)cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)c2)cn1.
What is the InChIKey of N-[3-[[(3R)-3-(aminomethyl)piperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide?
The InChIKey is KTEUFTZCAOCMIX-OAVKWVNPSA-N. The full InChI is InChI=1S/C31H35N5O2.C30H32N4O2.C28H33N5O3.C27H31N5O2/c1-22-10-11-26(15-30(22)38-29-8-4-3-5-9-29)31(37)34-27-13-25(20-35-12-6-7-24(17-32)19-35)14-28(16-27)36-18-23(2)33-21-36;1-21-10-13-34(18-21)27-15-23(19-33-12-11-25(31)20-33)14-26(17-27)32-30(35)24-9-8-22(2)29(16-24)36-28-6-4-3-5-7-28;1-18-5-9-33(15-18)23-12-20(17-32-8-6-26(35)19(2)16-32)11-22(14-23)29-28(36)21-3-4-24-25(13-21)31-27(30-24)7-10-34;1-17-6-9-32(14-17)23-11-20(16-31-8-7-26(33)18(2)15-31)10-22(13-23)28-27(34)21-4-5-24-19(3)29-30-25(24)12-21/h3-5,8-11,13-16,18,21,24H,6-7,12,17,19-20,32H2,1-2H3,(H,34,37);3-10,13-18,25H,11-12,19-20,31H2,1-2H3,(H,32,35);3-5,9,11-15,19,26,34-35H,6-8,10,16-17H2,1-2H3,(H,29,36)(H,30,31);4-6,9-14,18,26,33H,7-8,15-16H2,1-3H3,(H,28,34)(H,29,30)/t24-;25-;;/m10../s1.
What are the key properties of N-[3-[[(3R)-3-(aminomethyl)piperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide?
N-[3-[[(3R)-3-(aminomethyl)piperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide has a molecular weight of 1935.45 g/mol, XLogP of 19.45, 27 rotatable bonds, 11 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(3R)-3-(aminomethyl)piperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide is sourced from PubChem (CID 159233561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).