N-[(1S)-1-(1,3-benzodioxol-4-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);N-[(1S)-1-(2,6-dichlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-pyridin-2-ylethyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-5-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-methoxy-5-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide

C202H183Cl2F2N13O22 — CID 157220499

About N-[(1S)-1-(1,3-benzodioxol-4-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);N-[(1S)-1-(2,6-dichlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-pyridin-2-ylethyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-5-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-methoxy-5-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide

N-[(1S)-1-(1,3-benzodioxol-4-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);N-[(1S)-1-(2,6-dichlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-pyridin-2-ylethyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-5-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-methoxy-5-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide (PubChem CID 157220499) has the molecular formula C202H183Cl2F2N13O22 and a molecular weight of 3253.66 g/mol. Its IUPAC name is N-[(1S)-1-(1,3-benzodioxol-4-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);N-[(1S)-1-(2,6-dichlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-pyridin-2-ylethyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-5-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-methoxy-5-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(1,3-benzodioxol-4-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);N-[(1S)-1-(2,6-dichlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-pyridin-2-ylethyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-5-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-methoxy-5-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
• PubChem CID: 157220499
• Molecular Formula: C202H183Cl2F2N13O22
• Molecular Weight: 3253.66 g/mol
• Exact Mass: 3250.29
• IUPAC Name: N-[(1S)-1-(1,3-benzodioxol-4-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);N-[(1S)-1-(2,6-dichlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-pyridin-2-ylethyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-5-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-methoxy-5-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
• SMILES: COc1cc(C)cc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3)cc2)c1.COc1cc(F)cc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3)cc2)c1.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3c(Cl)cccc3Cl)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc4c3OCO4)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccccn3)cc12.Cc1c(F)cccc1[C@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2)cc1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
• InChI: InChI=1S/C34H34N2O2.C33H31FN2O2.C33H31FN2O.C33H30N2O3.C32H28Cl2N2O.C31H29N3O.6CO2/c1-22-17-30(19-31(18-22)38-5)24(3)35-34(37)29-15-16-33-32(20-29)23(2)25(4)36(33)21-26-11-13-28(14-12-26)27-9-7-6-8-10-27;1-21-23(3)36(20-24-10-12-26(13-11-24)25-8-6-5-7-9-25)32-15-14-27(18-31(21)32)33(37)35-22(2)28-16-29(34)19-30(17-28)38-4;1-21-24(4)36(20-25-13-15-27(16-14-25)26-9-6-5-7-10-26)32-18-17-28(19-30(21)32)33(37)35-23(3)29-11-8-12-31(34)22(29)2;1-21-23(3)35(19-24-12-14-26(15-13-24)25-8-5-4-6-9-25)30-17-16-27(18-29(21)30)33(36)34-22(2)28-10-7-11-31-32(28)38-20-37-31;1-20-22(3)36(19-23-12-14-25(15-13-23)24-8-5-4-6-9-24)30-17-16-26(18-27(20)30)32(37)35-21(2)31-28(33)10-7-11-29(31)34;1-21-23(3)34(20-24-12-14-26(15-13-24)25-9-5-4-6-10-25)30-17-16-27(19-28(21)30)31(35)33-22(2)29-11-7-8-18-32-29;6*2-1-3/h6-20,24H,21H2,1-5H3,(H,35,37);5-19,22H,20H2,1-4H3,(H,35,37);5-19,23H,20H2,1-4H3,(H,35,37);4-18,22H,19-20H2,1-3H3,(H,34,36);4-18,21H,19H2,1-3H3,(H,35,37);4-19,22H,20H2,1-3H3,(H,33,35);;;;;;/t24-;22-;23-;22-;21-;22-;;;;;;/m000000....../s1
• InChIKey: ASXVTYIMBAEEKV-LBEWVUOISA-N
• XLogP: 42.63
• TPSA: 458.83 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 38
• Heavy Atoms: 241
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3253.66
LogP ≤ 5	42.63
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

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-(1,3-benzodioxol-4-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);N-[(1S)-1-(2,6-dichlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-pyridin-2-ylethyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-5-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-methoxy-5-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide?

The IUPAC name of N-[(1S)-1-(1,3-benzodioxol-4-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);N-[(1S)-1-(2,6-dichlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-pyridin-2-ylethyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-5-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-methoxy-5-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide (CID 157220499) is N-[(1S)-1-(1,3-benzodioxol-4-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);N-[(1S)-1-(2,6-dichlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-pyridin-2-ylethyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-5-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-methoxy-5-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide.

What is the SMILES notation for N-[(1S)-1-(1,3-benzodioxol-4-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);N-[(1S)-1-(2,6-dichlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-pyridin-2-ylethyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-5-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-methoxy-5-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide?

The canonical SMILES for N-[(1S)-1-(1,3-benzodioxol-4-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);N-[(1S)-1-(2,6-dichlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-pyridin-2-ylethyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-5-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-methoxy-5-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide is COc1cc(C)cc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3)cc2)c1.COc1cc(F)cc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3)cc2)c1.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3c(Cl)cccc3Cl)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc4c3OCO4)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccccn3)cc12.Cc1c(F)cccc1[C@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2)cc1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.

What is the InChIKey of N-[(1S)-1-(1,3-benzodioxol-4-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);N-[(1S)-1-(2,6-dichlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-pyridin-2-ylethyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-5-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-methoxy-5-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide?

The InChIKey is ASXVTYIMBAEEKV-LBEWVUOISA-N. The full InChI is InChI=1S/C34H34N2O2.C33H31FN2O2.C33H31FN2O.C33H30N2O3.C32H28Cl2N2O.C31H29N3O.6CO2/c1-22-17-30(19-31(18-22)38-5)24(3)35-34(37)29-15-16-33-32(20-29)23(2)25(4)36(33)21-26-11-13-28(14-12-26)27-9-7-6-8-10-27;1-21-23(3)36(20-24-10-12-26(13-11-24)25-8-6-5-7-9-25)32-15-14-27(18-31(21)32)33(37)35-22(2)28-16-29(34)19-30(17-28)38-4;1-21-24(4)36(20-25-13-15-27(16-14-25)26-9-6-5-7-10-26)32-18-17-28(19-30(21)32)33(37)35-23(3)29-11-8-12-31(34)22(29)2;1-21-23(3)35(19-24-12-14-26(15-13-24)25-8-5-4-6-9-25)30-17-16-27(18-29(21)30)33(36)34-22(2)28-10-7-11-31-32(28)38-20-37-31;1-20-22(3)36(19-23-12-14-25(15-13-23)24-8-5-4-6-9-24)30-17-16-26(18-27(20)30)32(37)35-21(2)31-28(33)10-7-11-29(31)34;1-21-23(3)34(20-24-12-14-26(15-13-24)25-9-5-4-6-10-25)30-17-16-27(19-28(21)30)31(35)33-22(2)29-11-7-8-18-32-29;6*2-1-3/h6-20,24H,21H2,1-5H3,(H,35,37);5-19,22H,20H2,1-4H3,(H,35,37);5-19,23H,20H2,1-4H3,(H,35,37);4-18,22H,19-20H2,1-3H3,(H,34,36);4-18,21H,19H2,1-3H3,(H,35,37);4-19,22H,20H2,1-3H3,(H,33,35);;;;;;/t24-;22-;23-;22-;21-;22-;;;;;;/m000000....../s1.

What are the key properties of N-[(1S)-1-(1,3-benzodioxol-4-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);N-[(1S)-1-(2,6-dichlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-pyridin-2-ylethyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-5-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-methoxy-5-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide?

N-[(1S)-1-(1,3-benzodioxol-4-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);N-[(1S)-1-(2,6-dichlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-pyridin-2-ylethyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-5-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-methoxy-5-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide has a molecular weight of 3253.66 g/mol, XLogP of 42.63, 38 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(1,3-benzodioxol-4-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);N-[(1S)-1-(2,6-dichlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-pyridin-2-ylethyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-5-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-methoxy-5-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide is sourced from PubChem (CID 157220499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).