4-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl}-2-methoxypyridine

• ChemBase ID: 695068
• Molecular Formular: C13H14N4O2
• Molecular Mass: 258.27586
• Monoisotopic Mass: 258.11167571
• SMILES: N1(C(=O)c2cc(ncc2)OC)Cc2c([nH]cn2)CC1
• Canonical SMILES: COc1nccc(c1)C(=O)N1CCc2c(C1)nc[nH]2
• InChI: InChI=1S/C13H14N4O2/c1-19-12-6-9(2-4-14-12)13(18)17-5-3-10-11(7-17)16-8-15-10/h2,4,6,8H,3,5,7H2,1H3,(H,15,16)
• InChIKey: OISILRSOIWNWAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl}-2-methoxypyridine
• IUPAC Traditional name: 4-{1H,4H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl}-2-methoxypyridine
• Synonyms: 5-(2-methoxyisonicotinoyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.444684
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.6221875
• LogD (pH = 7.4): -0.10764763
• Log P: -0.09098477
• Molar Refractivity: 69.8923 cm^3
• Polarizability: 26.022781 Å^3
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.07
• LOG S: -2.33
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 2