3-[[2-chloro-4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide

C26H23ClN6O3S — CID 22388018

About 3-[[2-chloro-4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide

3-[[2-chloro-4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide (PubChem CID 22388018) has the molecular formula C26H23ClN6O3S and a molecular weight of 535.03 g/mol. Its IUPAC name is 3-[[2-chloro-4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 3-[[2-chloro-4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide
• PubChem CID: 22388018
• Molecular Formula: C26H23ClN6O3S
• Molecular Weight: 535.03 g/mol
• Exact Mass: 534.12
• IUPAC Name: 3-[[2-chloro-4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide
• SMILES: Cc1ccc(S(=O)(=O)NC(=O)c2ccc3nc(C)n(Cc4ccc(Cn5ccnc5)cc4Cl)c3n2)cc1
• InChI: InChI=1S/C26H23ClN6O3S/c1-17-3-7-21(8-4-17)37(35,36)31-26(34)24-10-9-23-25(30-24)33(18(2)29-23)15-20-6-5-19(13-22(20)27)14-32-12-11-28-16-32/h3-13,16H,14-15H2,1-2H3,(H,31,34)
• InChIKey: NOJGXAIHSBWNIP-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 111.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.03
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[[2-chloro-4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide?

The IUPAC name of 3-[[2-chloro-4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide (CID 22388018) is 3-[[2-chloro-4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide.

What is the SMILES notation for 3-[[2-chloro-4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide?

The canonical SMILES for 3-[[2-chloro-4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide is Cc1ccc(S(=O)(=O)NC(=O)c2ccc3nc(C)n(Cc4ccc(Cn5ccnc5)cc4Cl)c3n2)cc1.

What is the InChIKey of 3-[[2-chloro-4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide?

The InChIKey is NOJGXAIHSBWNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN6O3S/c1-17-3-7-21(8-4-17)37(35,36)31-26(34)24-10-9-23-25(30-24)33(18(2)29-23)15-20-6-5-19(13-22(20)27)14-32-12-11-28-16-32/h3-13,16H,14-15H2,1-2H3,(H,31,34).

What are the key properties of 3-[[2-chloro-4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide?

3-[[2-chloro-4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide has a molecular weight of 535.03 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-chloro-4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide is sourced from PubChem (CID 22388018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).