(5-{[4-(4-chlorophenyl)phenyl]methyl}-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl)methanol

• ChemBase ID: 413687
• Molecular Formular: C20H20ClN3O
• Molecular Mass: 353.8453
• Monoisotopic Mass: 353.12948996
• SMILES: c12c([nH]nc1CO)CCN(C2)Cc1ccc(c2ccc(cc2)Cl)cc1
• Canonical SMILES: OCc1n[nH]c2c1CN(CC2)Cc1ccc(cc1)c1ccc(cc1)Cl
• InChI: InChI=1S/C20H20ClN3O/c21-17-7-5-16(6-8-17)15-3-1-14(2-4-15)11-24-10-9-19-18(12-24)20(13-25)23-22-19/h1-8,25H,9-13H2,(H,22,23)
• InChIKey: DMRWTNYHPOIEGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-{[4-(4-chlorophenyl)phenyl]methyl}-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl)methanol
• IUPAC Traditional name: (5-{[4-(4-chlorophenyl)phenyl]methyl}-1H,4H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl)methanol
• Synonyms: {5-[(4'-chlorobiphenyl-4-yl)methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.238134
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.2650661
• LogD (pH = 7.4): 2.8953743
• Log P: 3.23988
• Molar Refractivity: 102.4329 cm^3
• Polarizability: 40.081993 Å^3
• Polar Surface Area: 52.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.91
• LOG S: -3.26
• Polar Surface Area: 52.15 Å^2
• Rotatable Bonds: 4