5-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 438687
• Molecular Formular: C18H14FN5
• Molecular Mass: 319.3356632
• Monoisotopic Mass: 319.12332369
• SMILES: n12c(nc(cc1NCc1ncccc1)c1c(F)cccc1)ccn2
• Canonical SMILES: Fc1ccccc1c1cc(NCc2ccccn2)n2c(n1)ccn2
• InChI: InChI=1S/C18H14FN5/c19-15-7-2-1-6-14(15)16-11-18(24-17(23-16)8-10-22-24)21-12-13-5-3-4-9-20-13/h1-11,21H,12H2
• InChIKey: PUVICXBQZSYXBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-(2-fluorophenyl)-N-(2-pyridinylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.9699419
• LogD (pH = 7.4): 2.9789755
• Log P: 2.979092
• Molar Refractivity: 100.1348 cm^3
• Polarizability: 34.661167 Å^3
• Polar Surface Area: 55.11 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.03
• LOG S: -2.82
• Polar Surface Area: 55.11 Å^2
• Rotatable Bonds: 4