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

• ChemBase ID: 546213
• Molecular Formular: C20H20N6O2
• Molecular Mass: 376.4118
• Monoisotopic Mass: 376.16477391
• SMILES: n12c(nc(cc1NCCc1nc(on1)C1OCCC1)c1ccccc1)ccn2
• Canonical SMILES: C1COC(C1)c1onc(n1)CCNc1cc(nc2n1ncc2)c1ccccc1
• InChI: InChI=1S/C20H20N6O2/c1-2-5-14(6-3-1)15-13-19(26-18(23-15)9-11-22-26)21-10-8-17-24-20(28-25-17)16-7-4-12-27-16/h1-3,5-6,9,11,13,16,21H,4,7-8,10,12H2
• InChIKey: BGRSSXRCVZPOKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 3.0560129
• LogD (pH = 7.4): 3.0560517
• Log P: 3.0560522
• Molar Refractivity: 115.6041 cm^3
• Polarizability: 40.106678 Å^3
• Polar Surface Area: 90.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.72
• LOG S: -3.41
• Polar Surface Area: 90.37 Å^2
• Rotatable Bonds: 6