5-[2-(4-chlorophenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl]-1,2-dihydropyridin-2-one

• ChemBase ID: 350122
• Molecular Formular: C18H15ClN4O2
• Molecular Mass: 354.7903
• Monoisotopic Mass: 354.08835342
• SMILES: n1c2c([nH]c1c1ccc(cc1)Cl)CCN(C(=O)c1c[nH]c(=O)cc1)C2
• Canonical SMILES: Clc1ccc(cc1)c1[nH]c2c(n1)CN(CC2)C(=O)c1ccc(=O)[nH]c1
• InChI: InChI=1S/C18H15ClN4O2/c19-13-4-1-11(2-5-13)17-21-14-7-8-23(10-15(14)22-17)18(25)12-3-6-16(24)20-9-12/h1-6,9H,7-8,10H2,(H,20,24)(H,21,22)
• InChIKey: OVMPCDPIBOSTQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[2-(4-chlorophenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl]-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 5-[2-(4-chlorophenyl)-1H,4H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one
• Synonyms: 5-{[2-(4-chlorophenyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]carbonyl}pyridin-2(1H)-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.557328
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.90451056
• LogD (pH = 7.4): 1.1355382
• Log P: 1.1398034
• Molar Refractivity: 105.9092 cm^3
• Polarizability: 36.33481 Å^3
• Polar Surface Area: 78.09 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.48
• LOG S: -2.2
• Polar Surface Area: 81.85 Å^2
• Rotatable Bonds: 2