5-(2-fluorophenyl)-N-methyl-N-[2-(piperidin-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 479069
• Molecular Formular: C20H24FN5
• Molecular Mass: 353.4364632
• Monoisotopic Mass: 353.20157401
• SMILES: n12c(cc(nc1ccn2)c1c(F)cccc1)N(CCN1CCCCC1)C
• Canonical SMILES: CN(c1cc(nc2n1ncc2)c1ccccc1F)CCN1CCCCC1
• InChI: InChI=1S/C20H24FN5/c1-24(13-14-25-11-5-2-6-12-25)20-15-18(16-7-3-4-8-17(16)21)23-19-9-10-22-26(19)20/h3-4,7-10,15H,2,5-6,11-14H2,1H3
• InChIKey: QLTVLHOEUGCJPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-fluorophenyl)-N-methyl-N-[2-(piperidin-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-(2-fluorophenyl)-N-methyl-N-[2-(piperidin-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-(2-fluorophenyl)-N-methyl-N-[2-(1-piperidinyl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.69163275
• LogD (pH = 7.4): 2.2827175
• Log P: 3.8950958
• Molar Refractivity: 112.5972 cm^3
• Polarizability: 39.660393 Å^3
• Polar Surface Area: 36.67 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.36
• LOG S: -4.49
• Polar Surface Area: 36.67 Å^2
• Rotatable Bonds: 5