1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide

C93H111Cl5N12O6 — CID 158133330

About 1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide

1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide (PubChem CID 158133330) has the molecular formula C93H111Cl5N12O6 and a molecular weight of 1670.25 g/mol. Its IUPAC name is 1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide
• PubChem CID: 158133330
• Molecular Formula: C93H111Cl5N12O6
• Molecular Weight: 1670.25 g/mol
• Exact Mass: 1666.72
• IUPAC Name: 1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide
• SMILES: COc1cccc2c(C(=O)NCC(C)C)cn(CCCN3CCN(Cc4ccc(Cl)cc4Cl)CC3)c12.COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3CCCN(Cc4ccccc4Cl)CC3)c12.COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3CCN(Cc4ccc(Cl)cc4Cl)CC3)c12
• InChI: InChI=1S/C33H39ClN4O2.C32H36Cl2N4O2.C28H36Cl2N4O2/c1-25-9-5-10-26(21-25)22-35-33(39)29-24-38(32-28(29)12-6-14-31(32)40-2)18-8-16-36-15-7-17-37(20-19-36)23-27-11-3-4-13-30(27)34;1-23-6-3-7-24(18-23)20-35-32(39)28-22-38(31-27(28)8-4-9-30(31)40-2)13-5-12-36-14-16-37(17-15-36)21-25-10-11-26(33)19-29(25)34;1-20(2)17-31-28(35)24-19-34(27-23(24)6-4-7-26(27)36-3)11-5-10-32-12-14-33(15-13-32)18-21-8-9-22(29)16-25(21)30/h3-6,9-14,21,24H,7-8,15-20,22-23H2,1-2H3,(H,35,39);3-4,6-11,18-19,22H,5,12-17,20-21H2,1-2H3,(H,35,39);4,6-9,16,19-20H,5,10-15,17-18H2,1-3H3,(H,31,35)
• InChIKey: FTAWATUOKJKJJL-UHFFFAOYSA-N
• XLogP: 18.09
• TPSA: 149.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 30
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1670.25
LogP ≤ 5	18.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide?

The IUPAC name of 1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide (CID 158133330) is 1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide.

What is the SMILES notation for 1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide?

The canonical SMILES for 1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide is COc1cccc2c(C(=O)NCC(C)C)cn(CCCN3CCN(Cc4ccc(Cl)cc4Cl)CC3)c12.COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3CCCN(Cc4ccccc4Cl)CC3)c12.COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3CCN(Cc4ccc(Cl)cc4Cl)CC3)c12.

What is the InChIKey of 1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide?

The InChIKey is FTAWATUOKJKJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39ClN4O2.C32H36Cl2N4O2.C28H36Cl2N4O2/c1-25-9-5-10-26(21-25)22-35-33(39)29-24-38(32-28(29)12-6-14-31(32)40-2)18-8-16-36-15-7-17-37(20-19-36)23-27-11-3-4-13-30(27)34;1-23-6-3-7-24(18-23)20-35-32(39)28-22-38(31-27(28)8-4-9-30(31)40-2)13-5-12-36-14-16-37(17-15-36)21-25-10-11-26(33)19-29(25)34;1-20(2)17-31-28(35)24-19-34(27-23(24)6-4-7-26(27)36-3)11-5-10-32-12-14-33(15-13-32)18-21-8-9-22(29)16-25(21)30/h3-6,9-14,21,24H,7-8,15-20,22-23H2,1-2H3,(H,35,39);3-4,6-11,18-19,22H,5,12-17,20-21H2,1-2H3,(H,35,39);4,6-9,16,19-20H,5,10-15,17-18H2,1-3H3,(H,31,35).

What are the key properties of 1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide?

1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide has a molecular weight of 1670.25 g/mol, XLogP of 18.09, 30 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide is sourced from PubChem (CID 158133330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).