1-[3-[(1R)-7-[2-(4-chlorophenyl)ethyl]-4-azatricyclo[3.3.0.01,3]octan-4-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide

C35H37Cl2N3O2 — CID 143503305

About 1-[3-[(1R)-7-[2-(4-chlorophenyl)ethyl]-4-azatricyclo[3.3.0.01,3]octan-4-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide

1-[3-[(1R)-7-[2-(4-chlorophenyl)ethyl]-4-azatricyclo[3.3.0.01,3]octan-4-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide (PubChem CID 143503305) has the molecular formula C35H37Cl2N3O2 and a molecular weight of 602.61 g/mol. Its IUPAC name is 1-[3-[(1R)-7-[2-(4-chlorophenyl)ethyl]-4-azatricyclo[3.3.0.01,3]octan-4-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[3-[(1R)-7-[2-(4-chlorophenyl)ethyl]-4-azatricyclo[3.3.0.01,3]octan-4-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide
• PubChem CID: 143503305
• Molecular Formula: C35H37Cl2N3O2
• Molecular Weight: 602.61 g/mol
• Exact Mass: 601.23
• IUPAC Name: 1-[3-[(1R)-7-[2-(4-chlorophenyl)ethyl]-4-azatricyclo[3.3.0.01,3]octan-4-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide
• SMILES: COc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3C4CC(CCc5ccc(Cl)cc5)C[C@]45CC35)c12
• InChI: InChI=1S/C35H37Cl2N3O2/c1-42-30-8-3-7-28-29(34(41)38-21-25-5-2-6-27(37)17-25)22-39(33(28)30)15-4-16-40-31-18-24(19-35(31)20-32(35)40)10-9-23-11-13-26(36)14-12-23/h2-3,5-8,11-14,17,22,24,31-32H,4,9-10,15-16,18-21H2,1H3,(H,38,41)/t24?,31?,32?,35-/m0/s1
• InChIKey: CXFWVHIHLULBHL-DQJZEUFVSA-N
• XLogP: 7.76
• TPSA: 46.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	602.61
LogP ≤ 5	7.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1R)-7-[2-(4-chlorophenyl)ethyl]-4-azatricyclo[3.3.0.01,3]octan-4-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide?

The IUPAC name of 1-[3-[(1R)-7-[2-(4-chlorophenyl)ethyl]-4-azatricyclo[3.3.0.01,3]octan-4-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide (CID 143503305) is 1-[3-[(1R)-7-[2-(4-chlorophenyl)ethyl]-4-azatricyclo[3.3.0.01,3]octan-4-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide.

What is the SMILES notation for 1-[3-[(1R)-7-[2-(4-chlorophenyl)ethyl]-4-azatricyclo[3.3.0.01,3]octan-4-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide?

The canonical SMILES for 1-[3-[(1R)-7-[2-(4-chlorophenyl)ethyl]-4-azatricyclo[3.3.0.01,3]octan-4-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide is COc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3C4CC(CCc5ccc(Cl)cc5)C[C@]45CC35)c12.

What is the InChIKey of 1-[3-[(1R)-7-[2-(4-chlorophenyl)ethyl]-4-azatricyclo[3.3.0.01,3]octan-4-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide?

The InChIKey is CXFWVHIHLULBHL-DQJZEUFVSA-N. The full InChI is InChI=1S/C35H37Cl2N3O2/c1-42-30-8-3-7-28-29(34(41)38-21-25-5-2-6-27(37)17-25)22-39(33(28)30)15-4-16-40-31-18-24(19-35(31)20-32(35)40)10-9-23-11-13-26(36)14-12-23/h2-3,5-8,11-14,17,22,24,31-32H,4,9-10,15-16,18-21H2,1H3,(H,38,41)/t24?,31?,32?,35-/m0/s1.

What are the key properties of 1-[3-[(1R)-7-[2-(4-chlorophenyl)ethyl]-4-azatricyclo[3.3.0.01,3]octan-4-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide?

1-[3-[(1R)-7-[2-(4-chlorophenyl)ethyl]-4-azatricyclo[3.3.0.01,3]octan-4-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide has a molecular weight of 602.61 g/mol, XLogP of 7.76, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[(1R)-7-[2-(4-chlorophenyl)ethyl]-4-azatricyclo[3.3.0.01,3]octan-4-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide is sourced from PubChem (CID 143503305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).