5-(2-fluorobenzoyl)-2-(4-methoxyphenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine

• ChemBase ID: 546915
• Molecular Formular: C20H18FN3O2
• Molecular Mass: 351.3742232
• Monoisotopic Mass: 351.13830505
• SMILES: n1c2c([nH]c1c1ccc(cc1)OC)CCN(C(=O)c1c(F)cccc1)C2
• Canonical SMILES: COc1ccc(cc1)c1nc2c([nH]1)CCN(C2)C(=O)c1ccccc1F
• InChI: InChI=1S/C20H18FN3O2/c1-26-14-8-6-13(7-9-14)19-22-17-10-11-24(12-18(17)23-19)20(25)15-4-2-3-5-16(15)21/h2-9H,10-12H2,1H3,(H,22,23)
• InChIKey: CMFRADUENBAWNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-fluorobenzoyl)-2-(4-methoxyphenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
• IUPAC Traditional name: 5-(2-fluorobenzoyl)-2-(4-methoxyphenyl)-1H,4H,6H,7H-imidazo[4,5-c]pyridine
• Synonyms: 5-(2-fluorobenzoyl)-2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.80445
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.4383178
• LogD (pH = 7.4): 2.6950865
• Log P: 2.6997023
• Molar Refractivity: 107.0537 cm^3
• Polarizability: 36.79834 Å^3
• Polar Surface Area: 58.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.78
• LOG S: -3.28
• Polar Surface Area: 58.22 Å^2
• Rotatable Bonds: 3