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

• ChemBase ID: 640750
• Molecular Formular: C16H20N6O2
• Molecular Mass: 328.369
• Monoisotopic Mass: 328.16477391
• SMILES: n12c(nc(cc1NCc1nc(on1)C1OCCC1)C(C)C)ccn2
• Canonical SMILES: CC(c1cc(NCc2noc(n2)C2CCCO2)n2c(n1)ccn2)C
• InChI: InChI=1S/C16H20N6O2/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/h5-6,8,10,12,17H,3-4,7,9H2,1-2H3
• InChIKey: BGPJZXSPFKQMPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-isopropyl-N-{[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-isopropyl-N-{[5-(tetrahydro-2-furanyl)-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): 2.2075179
• LogD (pH = 7.4): 2.2075632
• Log P: 2.2075636
• Molar Refractivity: 99.9334 cm^3
• Polarizability: 32.902493 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: 0.94
• LOG S: -2.4
• Polar Surface Area: 90.37 Å^2
• Rotatable Bonds: 5