2-ethoxy-3-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl}pyridine

• ChemBase ID: 681284
• Molecular Formular: C14H16N4O2
• Molecular Mass: 272.30244
• Monoisotopic Mass: 272.12732577
• SMILES: C(=O)(N1Cc2c([nH]cn2)CC1)c1c(nccc1)OCC
• Canonical SMILES: CCOc1ncccc1C(=O)N1CCc2c(C1)nc[nH]2
• InChI: InChI=1S/C14H16N4O2/c1-2-20-13-10(4-3-6-15-13)14(19)18-7-5-11-12(8-18)17-9-16-11/h3-4,6,9H,2,5,7-8H2,1H3,(H,16,17)
• InChIKey: BCAYUAGETDRUTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.444683
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.26541358
• LogD (pH = 7.4): 0.24915992
• Log P: 0.2658232
• Molar Refractivity: 74.6409 cm^3
• Polarizability: 27.85815 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: 0.27
• LOG S: -2.73
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 3