5-(4-fluorophenyl)-N-[2-(pyridin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 695876
• Molecular Formular: C19H16FN5
• Molecular Mass: 333.3622432
• Monoisotopic Mass: 333.13897376
• SMILES: n12c(nc(cc1NCCc1cnccc1)c1ccc(cc1)F)ccn2
• Canonical SMILES: Fc1ccc(cc1)c1cc(NCCc2cccnc2)n2c(n1)ccn2
• InChI: InChI=1S/C19H16FN5/c20-16-5-3-15(4-6-16)17-12-19(25-18(24-17)8-11-23-25)22-10-7-14-2-1-9-21-13-14/h1-6,8-9,11-13,22H,7,10H2
• InChIKey: MBMHFQUXJLXTGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-fluorophenyl)-N-[2-(pyridin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-(4-fluorophenyl)-N-[2-(pyridin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-(4-fluorophenyl)-N-[2-(3-pyridinyl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.9282796
• LogD (pH = 7.4): 3.1814213
• Log P: 3.1862812
• Molar Refractivity: 105.412 cm^3
• Polarizability: 36.420547 Å^3
• Polar Surface Area: 55.11 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.02
• LOG S: -2.91
• Polar Surface Area: 55.11 Å^2
• Rotatable Bonds: 5