4-{[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino}-1-propylpyrrolidin-2-one

• ChemBase ID: 333668
• Molecular Formular: C19H20FN5O
• Molecular Mass: 353.3934032
• Monoisotopic Mass: 353.16518851
• SMILES: c1(n2c(nc(c1)c1c(F)cccc1)ccn2)NC1CC(=O)N(C1)CCC
• Canonical SMILES: CCCN1CC(CC1=O)Nc1cc(nc2n1ncc2)c1ccccc1F
• InChI: InChI=1S/C19H20FN5O/c1-2-9-24-12-13(10-19(24)26)22-18-11-16(14-5-3-4-6-15(14)20)23-17-7-8-21-25(17)18/h3-8,11,13,22H,2,9-10,12H2,1H3
• InChIKey: QZPVERWGQSJUMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino}-1-propylpyrrolidin-2-one
• IUPAC Traditional name: 4-{[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino}-1-propylpyrrolidin-2-one
• Synonyms: 4-{[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino}-1-propyl-2-pyrrolidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.5137613
• LogD (pH = 7.4): 2.513797
• Log P: 2.5137975
• Molar Refractivity: 107.5747 cm^3
• Polarizability: 37.50258 Å^3
• Polar Surface Area: 62.53 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: 2.93
• LOG S: -4.28
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 5