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

• ChemBase ID: 459088
• Molecular Formular: C15H15N5
• Molecular Mass: 265.3131
• Monoisotopic Mass: 265.13274551
• SMILES: c1(n(ncc1)c1ccccc1)C1c2nc[nH]c2CCN1
• Canonical SMILES: c1ccc(cc1)n1nccc1C1NCCc2c1nc[nH]2
• InChI: InChI=1S/C15H15N5/c1-2-4-11(5-3-1)20-13(7-9-19-20)15-14-12(6-8-16-15)17-10-18-14/h1-5,7,9-10,15-16H,6,8H2,(H,17,18)
• InChIKey: QBHQDVWGUDHWSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}-1-phenyl-1H-pyrazole
• IUPAC Traditional name: 5-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}-1-phenylpyrazole
• Synonyms: 4-(1-phenyl-1H-pyrazol-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.92706
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.034719113
• LogD (pH = 7.4): 1.0676845
• Log P: 1.1680337
• Molar Refractivity: 77.6332 cm^3
• Polarizability: 30.058313 Å^3
• Polar Surface Area: 58.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.81
• LOG S: -0.82
• Polar Surface Area: 58.53 Å^2
• Rotatable Bonds: 2