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

• ChemBase ID: 470809
• Molecular Formular: C15H20N6O2
• Molecular Mass: 316.3583
• Monoisotopic Mass: 316.16477391
• SMILES: n12c(nc(cc1NCCc1nc(no1)COC)C(C)C)ccn2
• Canonical SMILES: COCc1noc(n1)CCNc1cc(nc2n1ncc2)C(C)C
• InChI: InChI=1S/C15H20N6O2/c1-10(2)11-8-14(21-13(18-11)4-7-17-21)16-6-5-15-19-12(9-22-3)20-23-15/h4,7-8,10,16H,5-6,9H2,1-3H3
• InChIKey: XXEVJOGXWOELMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.8485119
• LogD (pH = 7.4): 1.8485583
• Log P: 1.8485588
• Molar Refractivity: 97.3465 cm^3
• Polarizability: 31.712837 Å^3
• Polar Surface Area: 90.37 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.4
• LOG S: -2.7
• Polar Surface Area: 90.37 Å^2
• Rotatable Bonds: 7