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

• ChemBase ID: 510345
• Molecular Formular: C19H18N4O3
• Molecular Mass: 350.37122
• Monoisotopic Mass: 350.13789046
• SMILES: n1c2c([nH]c1c1cc(OC)ccc1)CCN(C(=O)c1ncccc1O)C2
• Canonical SMILES: COc1cccc(c1)c1nc2c([nH]1)CCN(C2)C(=O)c1ncccc1O
• InChI: InChI=1S/C19H18N4O3/c1-26-13-5-2-4-12(10-13)18-21-14-7-9-23(11-15(14)22-18)19(25)17-16(24)6-3-8-20-17/h2-6,8,10,24H,7,9,11H2,1H3,(H,21,22)
• InChIKey: IUEZOPJAQHPJDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 7.524473
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.8487376
• LogD (pH = 7.4): 1.8266618
• Log P: 2.0716128
• Molar Refractivity: 106.2893 cm^3
• Polarizability: 36.865562 Å^3
• Polar Surface Area: 91.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.92
• LOG S: -3.39
• Polar Surface Area: 91.34 Å^2
• Rotatable Bonds: 3