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

• ChemBase ID: 540773
• Molecular Formular: C16H16N6O2
• Molecular Mass: 324.33724
• Monoisotopic Mass: 324.13347378
• SMILES: c1(nc2c([nH]1)CCN(C(=O)c1c(nccc1)OC)C2)c1c[nH]nc1
• Canonical SMILES: COc1ncccc1C(=O)N1CCc2c(C1)nc([nH]2)c1c[nH]nc1
• InChI: InChI=1S/C16H16N6O2/c1-24-15-11(3-2-5-17-15)16(23)22-6-4-12-13(9-22)21-14(20-12)10-7-18-19-8-10/h2-3,5,7-8H,4,6,9H2,1H3,(H,18,19)(H,20,21)
• InChIKey: UENJWIKZJDSOFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-3-[2-(1H-pyrazol-4-yl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl]pyridine
• IUPAC Traditional name: 2-methoxy-3-[2-(1H-pyrazol-4-yl)-1H,4H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl]pyridine
• Synonyms: 5-[(2-methoxypyridin-3-yl)carbonyl]-2-(1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.113495
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.1282623
• LogD (pH = 7.4): 0.2363127
• Log P: 0.23796947
• Molar Refractivity: 98.6813 cm^3
• Polarizability: 33.09786 Å^3
• Polar Surface Area: 99.79 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: 0.29
• LOG S: -3.12
• Polar Surface Area: 99.79 Å^2
• Rotatable Bonds: 3