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

• ChemBase ID: 789131
• Molecular Formular: C20H18FN5
• Molecular Mass: 347.3888232
• Monoisotopic Mass: 347.15462382
• SMILES: c1(n2c(nc(c1)c1ccc(cc1)F)ccn2)NC(c1cnccc1)CC
• Canonical SMILES: CCC(c1cccnc1)Nc1cc(nc2n1ncc2)c1ccc(cc1)F
• InChI: InChI=1S/C20H18FN5/c1-2-17(15-4-3-10-22-13-15)24-20-12-18(14-5-7-16(21)8-6-14)25-19-9-11-23-26(19)20/h3-13,17,24H,2H2,1H3
• InChIKey: DNNFQECYRPMCME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.7678082
• LogD (pH = 7.4): 3.8357596
• Log P: 3.8367176
• Molar Refractivity: 109.5998 cm^3
• Polarizability: 38.33756 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: 3.34
• LOG S: -3.29
• Polar Surface Area: 55.11 Å^2
• Rotatable Bonds: 5