5-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}-2-phenoxypyridine

• ChemBase ID: 827356
• Molecular Formular: C17H16N4O
• Molecular Mass: 292.33514
• Monoisotopic Mass: 292.13241115
• SMILES: c12C(c3cnc(Oc4ccccc4)cc3)NCCc2[nH]cn1
• Canonical SMILES: c1ccc(cc1)Oc1ccc(cn1)C1NCCc2c1nc[nH]2
• InChI: InChI=1S/C17H16N4O/c1-2-4-13(5-3-1)22-15-7-6-12(10-19-15)16-17-14(8-9-18-16)20-11-21-17/h1-7,10-11,16,18H,8-9H2,(H,20,21)
• InChIKey: QENROQOJFFTOBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.94332
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.6391101
• LogD (pH = 7.4): 1.8620865
• Log P: 2.0392864
• Molar Refractivity: 83.7914 cm^3
• Polarizability: 32.40559 Å^3
• Polar Surface Area: 62.83 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.35
• LOG S: -1.48
• Polar Surface Area: 62.83 Å^2
• Rotatable Bonds: 3