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

• ChemBase ID: 510612
• Molecular Formular: C15H14N6O
• Molecular Mass: 294.31126
• Monoisotopic Mass: 294.1229091
• SMILES: c1(nc2c([nH]1)CCN(C(=O)c1ncccc1)C2)c1c[nH]nc1
• Canonical SMILES: O=C(c1ccccn1)N1CCc2c(C1)nc([nH]2)c1c[nH]nc1
• InChI: InChI=1S/C15H14N6O/c22-15(12-3-1-2-5-16-12)21-6-4-11-13(9-21)20-14(19-11)10-7-17-18-8-10/h1-3,5,7-8H,4,6,9H2,(H,17,18)(H,19,20)
• InChIKey: DYTBGQJROLCPPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.113485
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.07737859
• LogD (pH = 7.4): 0.18537743
• Log P: 0.18703353
• Molar Refractivity: 91.5326 cm^3
• Polarizability: 30.561085 Å^3
• Polar Surface Area: 90.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.38
• LOG S: -2.33
• Polar Surface Area: 90.56 Å^2
• Rotatable Bonds: 2