6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-(2-piperidin-3-yloxy-3-pyridinyl)-1H-indole-2-carboxamide

C36H32Cl2N6O2 — CID 71155665

About 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-(2-piperidin-3-yloxy-3-pyridinyl)-1H-indole-2-carboxamide

6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-(2-piperidin-3-yloxy-3-pyridinyl)-1H-indole-2-carboxamide (PubChem CID 71155665) has the molecular formula C36H32Cl2N6O2 and a molecular weight of 651.60 g/mol. Its IUPAC name is 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-(2-piperidin-3-yloxy-3-pyridinyl)-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-(2-piperidin-3-yloxy-3-pyridinyl)-1H-indole-2-carboxamide
• PubChem CID: 71155665
• Molecular Formula: C36H32Cl2N6O2
• Molecular Weight: 651.60 g/mol
• Exact Mass: 650.20
• IUPAC Name: 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-(2-piperidin-3-yloxy-3-pyridinyl)-1H-indole-2-carboxamide
• SMILES: CC(c1ccc(Cl)cc1)n1cnc(-c2ccccc2)c1-c1c(C(=O)Nc2cccnc2OC2CCCNC2)[nH]c2cc(Cl)ccc12
• InChI: InChI=1S/C36H32Cl2N6O2/c1-22(23-11-13-25(37)14-12-23)44-21-41-32(24-7-3-2-4-8-24)34(44)31-28-16-15-26(38)19-30(28)42-33(31)35(45)43-29-10-6-18-40-36(29)46-27-9-5-17-39-20-27/h2-4,6-8,10-16,18-19,21-22,27,39,42H,5,9,17,20H2,1H3,(H,43,45)
• InChIKey: SWIVPCPDEFLVMJ-UHFFFAOYSA-N
• XLogP: 8.39
• TPSA: 96.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	651.60
LogP ≤ 5	8.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-(2-piperidin-3-yloxy-3-pyridinyl)-1H-indole-2-carboxamide?

The IUPAC name of 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-(2-piperidin-3-yloxy-3-pyridinyl)-1H-indole-2-carboxamide (CID 71155665) is 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-(2-piperidin-3-yloxy-3-pyridinyl)-1H-indole-2-carboxamide.

What is the SMILES notation for 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-(2-piperidin-3-yloxy-3-pyridinyl)-1H-indole-2-carboxamide?

The canonical SMILES for 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-(2-piperidin-3-yloxy-3-pyridinyl)-1H-indole-2-carboxamide is CC(c1ccc(Cl)cc1)n1cnc(-c2ccccc2)c1-c1c(C(=O)Nc2cccnc2OC2CCCNC2)[nH]c2cc(Cl)ccc12.

What is the InChIKey of 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-(2-piperidin-3-yloxy-3-pyridinyl)-1H-indole-2-carboxamide?

The InChIKey is SWIVPCPDEFLVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32Cl2N6O2/c1-22(23-11-13-25(37)14-12-23)44-21-41-32(24-7-3-2-4-8-24)34(44)31-28-16-15-26(38)19-30(28)42-33(31)35(45)43-29-10-6-18-40-36(29)46-27-9-5-17-39-20-27/h2-4,6-8,10-16,18-19,21-22,27,39,42H,5,9,17,20H2,1H3,(H,43,45).

What are the key properties of 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-(2-piperidin-3-yloxy-3-pyridinyl)-1H-indole-2-carboxamide?

6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-(2-piperidin-3-yloxy-3-pyridinyl)-1H-indole-2-carboxamide has a molecular weight of 651.60 g/mol, XLogP of 8.39, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-(2-piperidin-3-yloxy-3-pyridinyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 71155665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).