3-{[2-(4-chlorophenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl]methyl}pyridin-2-amine

• ChemBase ID: 829559
• Molecular Formular: C18H18ClN5
• Molecular Mass: 339.82202
• Monoisotopic Mass: 339.12507328
• SMILES: n1c2c([nH]c1c1ccc(cc1)Cl)CCN(C2)Cc1c(nccc1)N
• Canonical SMILES: Clc1ccc(cc1)c1nc2c([nH]1)CCN(C2)Cc1cccnc1N
• InChI: InChI=1S/C18H18ClN5/c19-14-5-3-12(4-6-14)18-22-15-7-9-24(11-16(15)23-18)10-13-2-1-8-21-17(13)20/h1-6,8H,7,9-11H2,(H2,20,21)(H,22,23)
• InChIKey: MOSWGPXBPWKWTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{[2-(4-chlorophenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl]methyl}pyridin-2-amine
• IUPAC Traditional name: 3-{[2-(4-chlorophenyl)-1H,4H,6H,7H-imidazo[4,5-c]pyridin-5-yl]methyl}pyridin-2-amine
• Synonyms: 3-{[2-(4-chlorophenyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]methyl}pyridin-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.252844
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.2942185
• LogD (pH = 7.4): 2.4449084
• Log P: 2.5099797
• Molar Refractivity: 107.7068 cm^3
• Polarizability: 37.184097 Å^3
• Polar Surface Area: 70.83 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.95
• LOG S: -2.33
• Polar Surface Area: 70.83 Å^2
• Rotatable Bonds: 3