N-[furan-2-yl(phenyl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 432206
• Molecular Formular: C19H18N4O
• Molecular Mass: 318.37242
• Monoisotopic Mass: 318.14806122
• SMILES: n12c(nc(cc1NC(c1occc1)c1ccccc1)C)cc(n2)C
• Canonical SMILES: Cc1cc(NC(c2ccco2)c2ccccc2)n2c(n1)cc(n2)C
• InChI: InChI=1S/C19H18N4O/c1-13-11-18(23-17(20-13)12-14(2)22-23)21-19(16-9-6-10-24-16)15-7-4-3-5-8-15/h3-12,19,21H,1-2H3
• InChIKey: FQPCKAMIPVBYLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[furan-2-yl(phenyl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-[furan-2-yl(phenyl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N-[2-furyl(phenyl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.812517
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.0463607
• LogD (pH = 7.4): 3.0467372
• Log P: 3.046742
• Molar Refractivity: 103.69 cm^3
• Polarizability: 34.931786 Å^3
• Polar Surface Area: 55.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.77
• LOG S: -4.74
• Polar Surface Area: 55.36 Å^2
• Rotatable Bonds: 4