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

C116H129N21O8 — CID 158434591

IUPACN-[3-[[(3R)-3-(aminomethyl)piperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3R)-3-(aminomethyl)pyrrolidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide
SMILESCc1cn(-c2cc(CN3CCC(O)C(C)C3)cc(NC(=O)c3ccc4c(C)[nH]nc4c3)c2)cn1.Cc1cn(-c2cc(CN3CCC[C@H](CN)C3)cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)c2)cn1.Cc1cn(-c2cc(CN3CC[C@H](CN)C3)cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)c2)cn1.Cc1cn(-c2cc(CN3CC[C@H](N)C3)cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)c2)cn1
InChIInChI=1S/C31H35N5O2.C30H33N5O2.C29H31N5O2.C26H30N6O2/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;1-21-8-9-25(14-29(21)37-28-6-4-3-5-7-28)30(36)33-26-12-24(19-34-11-10-23(16-31)18-34)13-27(15-26)35-17-22(2)32-20-35;1-20-8-9-23(14-28(20)36-27-6-4-3-5-7-27)29(35)32-25-12-22(17-33-11-10-24(30)18-33)13-26(15-25)34-16-21(2)31-19-34;1-16-12-31(7-6-25(16)33)14-19-8-21(11-22(9-19)32-13-17(2)27-15-32)28-26(34)20-4-5-23-18(3)29-30-24(23)10-20/h3-5,8-11,13-16,18,21,24H,6-7,12,17,19-20,32H2,1-2H3,(H,34,37);3-9,12-15,17,20,23H,10-11,16,18-19,31H2,1-2H3,(H,33,36);3-9,12-16,19,24H,10-11,17-18,30H2,1-2H3,(H,32,35);4-5,8-11,13,15-16,25,33H,6-7,12,14H2,1-3H3,(H,28,34)(H,29,30)/t24-;23-;24-;/m110./s1
InChIKeyHCBMODIWQPBTNM-KJTROJCZSA-N
MW1945.45 g/mol
LogP19.91
Rot. Bonds28

About N-[3-[[(3R)-3-(aminomethyl)piperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3R)-3-(aminomethyl)pyrrolidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(4-methylimidazol-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-[[(3R)-3-(aminomethyl)pyrrolidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide (PubChem CID 158434591) has the molecular formula C116H129N21O8 and a molecular weight of 1945.45 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-[[(3R)-3-(aminomethyl)pyrrolidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(4-methylimidazol-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-[[(3R)-3-(aminomethyl)pyrrolidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide
PubChem CID158434591
Molecular FormulaC116H129N21O8
Molecular Weight1945.45 g/mol
Exact Mass1944.03
IUPAC NameN-[3-[[(3R)-3-(aminomethyl)piperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3R)-3-(aminomethyl)pyrrolidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide
SMILESCc1cn(-c2cc(CN3CCC(O)C(C)C3)cc(NC(=O)c3ccc4c(C)[nH]nc4c3)c2)cn1.Cc1cn(-c2cc(CN3CCC[C@H](CN)C3)cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)c2)cn1.Cc1cn(-c2cc(CN3CC[C@H](CN)C3)cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)c2)cn1.Cc1cn(-c2cc(CN3CC[C@H](N)C3)cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)c2)cn1
InChIInChI=1S/C31H35N5O2.C30H33N5O2.C29H31N5O2.C26H30N6O2/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;1-21-8-9-25(14-29(21)37-28-6-4-3-5-7-28)30(36)33-26-12-24(19-34-11-10-23(16-31)18-34)13-27(15-26)35-17-22(2)32-20-35;1-20-8-9-23(14-28(20)36-27-6-4-3-5-7-27)29(35)32-25-12-22(17-33-11-10-24(30)18-33)13-26(15-25)34-16-21(2)31-19-34;1-16-12-31(7-6-25(16)33)14-19-8-21(11-22(9-19)32-13-17(2)27-15-32)28-26(34)20-4-5-23-18(3)29-30-24(23)10-20/h3-5,8-11,13-16,18,21,24H,6-7,12,17,19-20,32H2,1-2H3,(H,34,37);3-9,12-15,17,20,23H,10-11,16,18-19,31H2,1-2H3,(H,33,36);3-9,12-16,19,24H,10-11,17-18,30H2,1-2H3,(H,32,35);4-5,8-11,13,15-16,25,33H,6-7,12,14H2,1-3H3,(H,28,34)(H,29,30)/t24-;23-;24-;/m110./s1
InChIKeyHCBMODIWQPBTNM-KJTROJCZSA-N
XLogP19.91
TPSA355.30 Ų
H-Bond Donors9
H-Bond Acceptors24
Rotatable Bonds28
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001945.45
LogP ≤ 519.91
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1024

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

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Related Compounds

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
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylindazol-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazolo[1,5-a]pyridin-3-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[4-(1-methylpyrazol-4-yl)phenyl]-5-[(3-oxo-5-phenylmethoxy-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 158805521
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
N-[3-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[3-(dimethylamino)propoxy]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(3-morpholin-4-ylpropoxy)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]benzamide;4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]benzamide
CID 159863229
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-[3-[(dimethylamino)methyl]phenyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[3-[(dimethylamino)methyl]phenyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 161008190
(2S,4R)-1-[(2S)-2-[4-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-[(2S)-2-methoxypropoxy]quinazolin-8-yl]oxymethyl]phenyl]triazol-1-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1R)-2-hydroxy-1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 164875435
N-(1H-benzimidazol-4-ylmethyl)-3-ethoxy-N-methyl-4-(1H-pyrazol-5-yl)benzamide;3-(2,2-difluoroethoxy)-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;3-(difluoromethoxy)-4-(3-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(2,2,2-trifluoroethyl)benzamide;3-(fluoromethoxy)-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;N-(1H-indazol-7-ylmethyl)-3-(methoxymethyl)-N-methyl-4-phenylbenzamide
CID 167555498
N-[(2S)-3,3-difluorobutan-2-yl]-5-(2,3-dimethylimidazol-4-yl)-7-fluoro-2H-indazole-3-carboxamide;N-[(2S)-3,3-difluorobutan-2-yl]-5-(2,3-dimethylimidazol-4-yl)-1H-indazole-3-carboxamide;N-[(3S)-2,2-difluoro-4-methylpentan-3-yl]-5-(2,3-dimethylimidazol-4-yl)-1H-indazole-3-carboxamide;N-[(3S)-2,2-difluoropentan-3-yl]-5-(2,3-dimethylimidazol-4-yl)-1H-indazole-3-carboxamide;N-(2,2-difluoropropyl)-5-(2,3-dimethylimidazol-4-yl)-1H-indazole-3-carboxamide;5-(2,3-dimethylimidazol-4-yl)-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide
CID 167555595
N-(1-adamantyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-(3-cyclohexyloxyphenyl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(2S)-3,3-difluorobutan-2-yl]-7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide;5-(2,3-dimethylimidazol-4-yl)-7-fluoro-N-(4-fluoro-4-methylcyclohexyl)-2H-indazole-3-carboxamide;6-fluoro-N-[3-(4-methylpiperazin-1-yl)phenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 167560269
2-ethoxy-1-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylimidazole-4-carboxamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(oxolan-3-yl)benzamide;4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-[(prop-2-enoylamino)methyl]benzamide;4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(trifluoromethoxy)benzamide
CID 167676425
(2S,4R)-1-[2-[4-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(2-methoxypropoxy)quinazolin-8-yl]oxymethyl]phenyl]triazol-1-yl]-3-methylbutanoyl]-4-hydroxy-N-[2-hydroxy-1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 174199510

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-[[(3R)-3-(aminomethyl)pyrrolidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(4-methylimidazol-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-[[(3R)-3-(aminomethyl)pyrrolidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide (CID 158434591) is N-[3-[[(3R)-3-(aminomethyl)piperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3R)-3-(aminomethyl)pyrrolidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(4-methylimidazol-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-[[(3R)-3-(aminomethyl)pyrrolidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(4-methylimidazol-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-[[(3R)-3-(aminomethyl)pyrrolidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide is Cc1cn(-c2cc(CN3CCC(O)C(C)C3)cc(NC(=O)c3ccc4c(C)[nH]nc4c3)c2)cn1.Cc1cn(-c2cc(CN3CCC[C@H](CN)C3)cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)c2)cn1.Cc1cn(-c2cc(CN3CC[C@H](CN)C3)cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)c2)cn1.Cc1cn(-c2cc(CN3CC[C@H](N)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-[[(3R)-3-(aminomethyl)pyrrolidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide?
The InChIKey is HCBMODIWQPBTNM-KJTROJCZSA-N. The full InChI is InChI=1S/C31H35N5O2.C30H33N5O2.C29H31N5O2.C26H30N6O2/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;1-21-8-9-25(14-29(21)37-28-6-4-3-5-7-28)30(36)33-26-12-24(19-34-11-10-23(16-31)18-34)13-27(15-26)35-17-22(2)32-20-35;1-20-8-9-23(14-28(20)36-27-6-4-3-5-7-27)29(35)32-25-12-22(17-33-11-10-24(30)18-33)13-26(15-25)34-16-21(2)31-19-34;1-16-12-31(7-6-25(16)33)14-19-8-21(11-22(9-19)32-13-17(2)27-15-32)28-26(34)20-4-5-23-18(3)29-30-24(23)10-20/h3-5,8-11,13-16,18,21,24H,6-7,12,17,19-20,32H2,1-2H3,(H,34,37);3-9,12-15,17,20,23H,10-11,16,18-19,31H2,1-2H3,(H,33,36);3-9,12-16,19,24H,10-11,17-18,30H2,1-2H3,(H,32,35);4-5,8-11,13,15-16,25,33H,6-7,12,14H2,1-3H3,(H,28,34)(H,29,30)/t24-;23-;24-;/m110./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-[[(3R)-3-(aminomethyl)pyrrolidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(4-methylimidazol-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-[[(3R)-3-(aminomethyl)pyrrolidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide has a molecular weight of 1945.45 g/mol, XLogP of 19.91, 28 rotatable bonds, 9 hydrogen bond donors, and 24 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-[[(3R)-3-(aminomethyl)pyrrolidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide is sourced from PubChem (CID 158434591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).