2-[3-(2-fluorophenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]ethan-1-ol

• ChemBase ID: 767264
• Molecular Formular: C14H16FN3O
• Molecular Mass: 261.2947432
• Monoisotopic Mass: 261.12774037
• SMILES: c12c(n[nH]c1CCN(C2)CCO)c1c(F)cccc1
• Canonical SMILES: OCCN1CCc2c(C1)c(n[nH]2)c1ccccc1F
• InChI: InChI=1S/C14H16FN3O/c15-12-4-2-1-3-10(12)14-11-9-18(7-8-19)6-5-13(11)16-17-14/h1-4,19H,5-9H2,(H,16,17)
• InChIKey: CSIXCMOJDLWXDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(2-fluorophenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]ethan-1-ol
• IUPAC Traditional name: 2-[3-(2-fluorophenyl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]ethanol
• Synonyms: 2-[3-(2-fluorophenyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]ethanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.056997
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.5730033
• LogD (pH = 7.4): 1.0715134
• Log P: 1.4356904
• Molar Refractivity: 72.8585 cm^3
• Polarizability: 28.279596 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: 2.37
• LOG S: -2.12
• Polar Surface Area: 52.15 Å^2
• Rotatable Bonds: 3