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

• ChemBase ID: 848391
• Molecular Formular: C18H17FN4
• Molecular Mass: 308.3527832
• Monoisotopic Mass: 308.14372478
• SMILES: c12c(n[nH]c1CCN(C2)Cc1ncccc1)c1c(F)cccc1
• Canonical SMILES: Fc1ccccc1c1n[nH]c2c1CN(CC2)Cc1ccccn1
• InChI: InChI=1S/C18H17FN4/c19-16-7-2-1-6-14(16)18-15-12-23(10-8-17(15)21-22-18)11-13-5-3-4-9-20-13/h1-7,9H,8,10-12H2,(H,21,22)
• InChIKey: CNIAWBDQJFUCAK-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]methyl}pyridine
• IUPAC Traditional name: 2-{[3-(2-fluorophenyl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]methyl}pyridine
• Synonyms: 3-(2-fluorophenyl)-5-(2-pyridinylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.069675
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.108214
• LogD (pH = 7.4): 2.5380712
• Log P: 2.7140648
• Molar Refractivity: 88.4997 cm^3
• Polarizability: 34.519623 Å^3
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.69
• LOG S: -3.65
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 3