2-[3-(4-phenylphenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]pyridin-3-ol

• ChemBase ID: 565180
• Molecular Formular: C24H20N4O2
• Molecular Mass: 396.4412
• Monoisotopic Mass: 396.1586259
• SMILES: c12c(n[nH]c2CCN(C(=O)c2ncccc2O)C1)c1ccc(cc1)c1ccccc1
• Canonical SMILES: Oc1cccnc1C(=O)N1CCc2c(C1)c(n[nH]2)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C24H20N4O2/c29-21-7-4-13-25-23(21)24(30)28-14-12-20-19(15-28)22(27-26-20)18-10-8-17(9-11-18)16-5-2-1-3-6-16/h1-11,13,29H,12,14-15H2,(H,26,27)
• InChIKey: OPMDKLZKNSVTKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(4-phenylphenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]pyridin-3-ol
• IUPAC Traditional name: 2-[3-(4-phenylphenyl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]pyridin-3-ol
• Synonyms: 2-[(3-biphenyl-4-yl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)carbonyl]pyridin-3-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 7.518736
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 4.22181
• LogD (pH = 7.4): 3.9875677
• Log P: 4.225997
• Molar Refractivity: 115.8797 cm^3
• Polarizability: 46.006397 Å^3
• Polar Surface Area: 82.11 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: 3.76
• LOG S: -5.3
• Polar Surface Area: 82.11 Å^2
• Rotatable Bonds: 3