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

• ChemBase ID: 332690
• Molecular Formular: C15H18FN3O
• Molecular Mass: 275.3213232
• Monoisotopic Mass: 275.14339043
• SMILES: c12c(n[nH]c1CCN(C2)CCCO)c1c(F)cccc1
• Canonical SMILES: OCCCN1CCc2c(C1)c(n[nH]2)c1ccccc1F
• InChI: InChI=1S/C15H18FN3O/c16-13-5-2-1-4-11(13)15-12-10-19(7-3-9-20)8-6-14(12)17-18-15/h1-2,4-5,20H,3,6-10H2,(H,17,18)
• InChIKey: XOICWIUVFXUSQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.063953
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.823137
• LogD (pH = 7.4): 0.91697675
• Log P: 1.49565
• Molar Refractivity: 77.7239 cm^3
• Polarizability: 30.120789 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: 1.72
• LOG S: -1.67
• Polar Surface Area: 52.15 Å^2
• Rotatable Bonds: 4