{5-[(2-chloro-4-fluorophenyl)methyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}methanol

• ChemBase ID: 447751
• Molecular Formular: C14H15ClFN3O
• Molecular Mass: 295.7398032
• Monoisotopic Mass: 295.08876802
• SMILES: c12c([nH]nc1CO)CCN(C2)Cc1c(cc(cc1)F)Cl
• Canonical SMILES: OCc1n[nH]c2c1CN(CC2)Cc1ccc(cc1Cl)F
• InChI: InChI=1S/C14H15ClFN3O/c15-12-5-10(16)2-1-9(12)6-19-4-3-13-11(7-19)14(8-20)18-17-13/h1-2,5,20H,3-4,6-8H2,(H,17,18)
• InChIKey: IDPLHYGSBCVGDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {5-[(2-chloro-4-fluorophenyl)methyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}methanol
• IUPAC Traditional name: {5-[(2-chloro-4-fluorophenyl)methyl]-1H,4H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}methanol
• Synonyms: [5-(2-chloro-4-fluorobenzyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.238133
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.2110536
• LogD (pH = 7.4): 1.7227154
• Log P: 1.7353566
• Molar Refractivity: 77.5131 cm^3
• Polarizability: 28.85562 Å^3
• Polar Surface Area: 52.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.79
• LOG S: -1.02
• Polar Surface Area: 52.15 Å^2
• Rotatable Bonds: 3