6-(3-chlorophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine

C27H23ClN4 — CID 91497617

About 6-(3-chlorophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine

6-(3-chlorophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine (PubChem CID 91497617) has the molecular formula C27H23ClN4 and a molecular weight of 438.96 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 6-(3-chlorophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine
• PubChem CID: 91497617
• Molecular Formula: C27H23ClN4
• Molecular Weight: 438.96 g/mol
• Exact Mass: 438.16
• IUPAC Name: 6-(3-chlorophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine
• SMILES: Clc1cccc(-c2cnc3c(ncn3C3CCNCC3)c2-c2ccc3ccccc3c2)c1
• InChI: InChI=1S/C27H23ClN4/c28-22-7-3-6-20(15-22)24-16-30-27-26(31-17-32(27)23-10-12-29-13-11-23)25(24)21-9-8-18-4-1-2-5-19(18)14-21/h1-9,14-17,23,29H,10-13H2
• InChIKey: GIBZLUIACQVVJG-UHFFFAOYSA-N
• XLogP: 6.50
• TPSA: 42.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.96
LogP ≤ 5	6.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine?

The IUPAC name of 6-(3-chlorophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine (CID 91497617) is 6-(3-chlorophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine.

What is the SMILES notation for 6-(3-chlorophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine?

The canonical SMILES for 6-(3-chlorophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine is Clc1cccc(-c2cnc3c(ncn3C3CCNCC3)c2-c2ccc3ccccc3c2)c1.

What is the InChIKey of 6-(3-chlorophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine?

The InChIKey is GIBZLUIACQVVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN4/c28-22-7-3-6-20(15-22)24-16-30-27-26(31-17-32(27)23-10-12-29-13-11-23)25(24)21-9-8-18-4-1-2-5-19(18)14-21/h1-9,14-17,23,29H,10-13H2.

What are the key properties of 6-(3-chlorophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine?

6-(3-chlorophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine has a molecular weight of 438.96 g/mol, XLogP of 6.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-chlorophenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 91497617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).