N-(2-chlorophenyl)-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide

C26H27ClN6O — CID 46389455

About N-(2-chlorophenyl)-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide

N-(2-chlorophenyl)-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide (PubChem CID 46389455) has the molecular formula C26H27ClN6O and a molecular weight of 475.00 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: N-(2-chlorophenyl)-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide
• PubChem CID: 46389455
• Molecular Formula: C26H27ClN6O
• Molecular Weight: 475.00 g/mol
• Exact Mass: 474.19
• IUPAC Name: N-(2-chlorophenyl)-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide
• SMILES: Cc1ccc(-c2nc3cccnc3n2CCN2CCN(C(=O)Nc3ccccc3Cl)CC2)cc1
• InChI: InChI=1S/C26H27ClN6O/c1-19-8-10-20(11-9-19)24-29-23-7-4-12-28-25(23)33(24)18-15-31-13-16-32(17-14-31)26(34)30-22-6-3-2-5-21(22)27/h2-12H,13-18H2,1H3,(H,30,34)
• InChIKey: GAVPIHWXEDVFKH-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 66.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.00
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide?

The IUPAC name of N-(2-chlorophenyl)-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide (CID 46389455) is N-(2-chlorophenyl)-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide.

What is the SMILES notation for N-(2-chlorophenyl)-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide?

The canonical SMILES for N-(2-chlorophenyl)-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide is Cc1ccc(-c2nc3cccnc3n2CCN2CCN(C(=O)Nc3ccccc3Cl)CC2)cc1.

What is the InChIKey of N-(2-chlorophenyl)-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide?

The InChIKey is GAVPIHWXEDVFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN6O/c1-19-8-10-20(11-9-19)24-29-23-7-4-12-28-25(23)33(24)18-15-31-13-16-32(17-14-31)26(34)30-22-6-3-2-5-21(22)27/h2-12H,13-18H2,1H3,(H,30,34).

What are the key properties of N-(2-chlorophenyl)-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide?

N-(2-chlorophenyl)-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide has a molecular weight of 475.00 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chlorophenyl)-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 46389455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).