1-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2,5-dihydro-1H-pyrrole

• ChemBase ID: 627346
• Molecular Formular: C16H13FN4
• Molecular Mass: 280.2996232
• Monoisotopic Mass: 280.11242466
• SMILES: c1(n2c(nc(c1)c1c(F)cccc1)ccn2)N1CC=CC1
• Canonical SMILES: Fc1ccccc1c1cc(N2CC=CC2)n2c(n1)ccn2
• InChI: InChI=1S/C16H13FN4/c17-13-6-2-1-5-12(13)14-11-16(20-9-3-4-10-20)21-15(19-14)7-8-18-21/h1-8,11H,9-10H2
• InChIKey: GBYKZFPLCLYVBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2,5-dihydro-1H-pyrrole
• IUPAC Traditional name: 1-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2,5-dihydropyrrole
• Synonyms: 7-(2,5-dihydro-1H-pyrrol-1-yl)-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.3817406
• LogD (pH = 7.4): 3.3817754
• Log P: 3.3817759
• Molar Refractivity: 90.7857 cm^3
• Polarizability: 30.521933 Å^3
• Polar Surface Area: 33.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.04
• LOG S: -3.84
• Polar Surface Area: 33.43 Å^2
• Rotatable Bonds: 2