N-{[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 732607
• Molecular Formular: C16H16N6O2
• Molecular Mass: 324.33724
• Monoisotopic Mass: 324.13347378
• SMILES: n12c(nc(cc1NCc1nc(on1)c1occc1)C(C)C)ccn2
• Canonical SMILES: CC(c1cc(NCc2noc(n2)c2ccco2)n2c(n1)ccn2)C
• InChI: InChI=1S/C16H16N6O2/c1-10(2)11-8-15(22-14(19-11)5-6-18-22)17-9-13-20-16(24-21-13)12-4-3-7-23-12/h3-8,10,17H,9H2,1-2H3
• InChIKey: QSUUDRLKBBRZGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-{[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}-5-isopropylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N-{[5-(2-furyl)-1,2,4-oxadiazol-3-yl]methyl}-5-isopropylpyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.7862382
• LogD (pH = 7.4): 2.7862833
• Log P: 2.786284
• Molar Refractivity: 109.2455 cm^3
• Polarizability: 32.71584 Å^3
• Polar Surface Area: 94.28 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.24
• LOG S: -3.48
• Polar Surface Area: 94.28 Å^2
• Rotatable Bonds: 5