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

• ChemBase ID: 570506
• Molecular Formular: C19H18N6O2
• Molecular Mass: 362.38522
• Monoisotopic Mass: 362.14912385
• SMILES: n12c(nc(cc1NCc1nc(on1)C1OCCC1)c1ccccc1)ccn2
• Canonical SMILES: C1COC(C1)c1onc(n1)CNc1cc(nc2n1ncc2)c1ccccc1
• InChI: InChI=1S/C19H18N6O2/c1-2-5-13(6-3-1)14-11-18(25-17(22-14)8-9-21-25)20-12-16-23-19(27-24-16)15-7-4-10-26-15/h1-3,5-6,8-9,11,15,20H,4,7,10,12H2
• InChIKey: CDNIWYLWXKZVDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-{[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-phenyl-N-{[5-(tetrahydrofuran-2-yl)-1,2,4-oxadiazol-3-yl]methyl}pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 2.8652332
• LogD (pH = 7.4): 2.8652713
• Log P: 2.8652718
• Molar Refractivity: 110.9047 cm^3
• Polarizability: 38.34379 Å^3
• Polar Surface Area: 90.37 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: 1.42
• LOG S: -3.06
• Polar Surface Area: 90.37 Å^2
• Rotatable Bonds: 5