N-[(1S)-1-(3-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-5-carboxamide;bis(1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide);1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]indole-5-carboxamide

C171H156ClN15O6 — CID 159649023

About N-[(1S)-1-(3-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-5-carboxamide;bis(1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide);1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]indole-5-carboxamide

N-[(1S)-1-(3-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-5-carboxamide;bis(1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide);1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]indole-5-carboxamide (PubChem CID 159649023) has the molecular formula C171H156ClN15O6 and a molecular weight of 2552.68 g/mol. Its IUPAC name is N-[(1S)-1-(3-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-5-carboxamide;bis(1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide);1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]indole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(3-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-5-carboxamide;bis(1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide);1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]indole-5-carboxamide
• PubChem CID: 159649023
• Molecular Formula: C171H156ClN15O6
• Molecular Weight: 2552.68 g/mol
• Exact Mass: 2550.21
• IUPAC Name: N-[(1S)-1-(3-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-5-carboxamide;bis(1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide);1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]indole-5-carboxamide
• SMILES: Cc1c(C)n(Cc2ccc(-c3ccccc3C#N)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(OC(C)C)cc3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C#N)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(Cl)c3)cc12.Cc1ccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C#N)cc2)cc1.Cc1ccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C#N)cc2)cc1.Cc1cccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C#N)cc2)c1
• InChI: InChI=1S/C36H35N3O2.3C34H31N3O.C33H28ClN3O/c1-23(2)41-32-17-14-28(15-18-32)25(4)38-36(40)30-16-19-35-34(20-30)24(3)26(5)39(35)22-27-10-12-29(13-11-27)33-9-7-6-8-31(33)21-37;1-22-8-7-10-28(18-22)24(3)36-34(38)29-16-17-33-32(19-29)23(2)25(4)37(33)21-26-12-14-27(15-13-26)31-11-6-5-9-30(31)20-35;2*1-22-9-13-27(14-10-22)24(3)36-34(38)29-17-18-33-32(19-29)23(2)25(4)37(33)21-26-11-15-28(16-12-26)31-8-6-5-7-30(31)20-35;1-21-23(3)37(20-24-11-13-25(14-12-24)30-10-5-4-7-28(30)19-35)32-16-15-27(18-31(21)32)33(38)36-22(2)26-8-6-9-29(34)17-26/h6-20,23,25H,22H2,1-5H3,(H,38,40);3*5-19,24H,21H2,1-4H3,(H,36,38);4-18,22H,20H2,1-3H3,(H,36,38)/t25-;3*24-;22-/m00000/s1
• InChIKey: MRIDZOOSGVWREM-PTBDABRASA-N
• XLogP: 39.05
• TPSA: 298.33 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 32
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2552.68
LogP ≤ 5	39.05
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-5-carboxamide;bis(1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide);1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]indole-5-carboxamide?

The IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-5-carboxamide;bis(1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide);1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]indole-5-carboxamide (CID 159649023) is N-[(1S)-1-(3-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-5-carboxamide;bis(1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide);1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]indole-5-carboxamide.

What is the SMILES notation for N-[(1S)-1-(3-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-5-carboxamide;bis(1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide);1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]indole-5-carboxamide?

The canonical SMILES for N-[(1S)-1-(3-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-5-carboxamide;bis(1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide);1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]indole-5-carboxamide is Cc1c(C)n(Cc2ccc(-c3ccccc3C#N)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(OC(C)C)cc3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C#N)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(Cl)c3)cc12.Cc1ccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C#N)cc2)cc1.Cc1ccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C#N)cc2)cc1.Cc1cccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C#N)cc2)c1.

What is the InChIKey of N-[(1S)-1-(3-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-5-carboxamide;bis(1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide);1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]indole-5-carboxamide?

The InChIKey is MRIDZOOSGVWREM-PTBDABRASA-N. The full InChI is InChI=1S/C36H35N3O2.3C34H31N3O.C33H28ClN3O/c1-23(2)41-32-17-14-28(15-18-32)25(4)38-36(40)30-16-19-35-34(20-30)24(3)26(5)39(35)22-27-10-12-29(13-11-27)33-9-7-6-8-31(33)21-37;1-22-8-7-10-28(18-22)24(3)36-34(38)29-16-17-33-32(19-29)23(2)25(4)37(33)21-26-12-14-27(15-13-26)31-11-6-5-9-30(31)20-35;2*1-22-9-13-27(14-10-22)24(3)36-34(38)29-17-18-33-32(19-29)23(2)25(4)37(33)21-26-11-15-28(16-12-26)31-8-6-5-7-30(31)20-35;1-21-23(3)37(20-24-11-13-25(14-12-24)30-10-5-4-7-28(30)19-35)32-16-15-27(18-31(21)32)33(38)36-22(2)26-8-6-9-29(34)17-26/h6-20,23,25H,22H2,1-5H3,(H,38,40);3*5-19,24H,21H2,1-4H3,(H,36,38);4-18,22H,20H2,1-3H3,(H,36,38)/t25-;3*24-;22-/m00000/s1.

What are the key properties of N-[(1S)-1-(3-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-5-carboxamide;bis(1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide);1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]indole-5-carboxamide?

N-[(1S)-1-(3-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-5-carboxamide;bis(1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide);1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]indole-5-carboxamide has a molecular weight of 2552.68 g/mol, XLogP of 39.05, 32 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(3-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-5-carboxamide;bis(1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide);1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]indole-5-carboxamide is sourced from PubChem (CID 159649023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).