3-[2-(3-methoxyphenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl]pyridine

• ChemBase ID: 821279
• Molecular Formular: C19H18N4O2
• Molecular Mass: 334.37182
• Monoisotopic Mass: 334.14297584
• SMILES: n1c2c([nH]c1c1cc(OC)ccc1)CCN(C(=O)c1cnccc1)C2
• Canonical SMILES: COc1cccc(c1)c1nc2c([nH]1)CCN(C2)C(=O)c1cccnc1
• InChI: InChI=1S/C19H18N4O2/c1-25-15-6-2-4-13(10-15)18-21-16-7-9-23(12-17(16)22-18)19(24)14-5-3-8-20-11-14/h2-6,8,10-11H,7,9,12H2,1H3,(H,21,22)
• InChIKey: DBFYBWPMSSWQJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(3-methoxyphenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl]pyridine
• IUPAC Traditional name: 3-[2-(3-methoxyphenyl)-1H,4H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl]pyridine
• Synonyms: 2-(3-methoxyphenyl)-5-(pyridin-3-ylcarbonyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.679023
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.118151
• LogD (pH = 7.4): 1.3356638
• Log P: 1.3393279
• Molar Refractivity: 104.6804 cm^3
• Polarizability: 36.24413 Å^3
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.98
• LOG S: -2.48
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 3