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

• ChemBase ID: 709499
• Molecular Formular: C16H22N6O
• Molecular Mass: 314.38548
• Monoisotopic Mass: 314.18550935
• SMILES: n12c(nc(cc1NCCc1nc(no1)C(C)C)C(C)C)ccn2
• Canonical SMILES: CC(c1noc(n1)CCNc1cc(nc2n1ncc2)C(C)C)C
• InChI: InChI=1S/C16H22N6O/c1-10(2)12-9-14(22-13(19-12)5-8-18-22)17-7-6-15-20-16(11(3)4)21-23-15/h5,8-11,17H,6-7H2,1-4H3
• InChIKey: VTAPDQLZBOAAKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.2637131
• LogD (pH = 7.4): 3.2637596
• Log P: 3.26376
• Molar Refractivity: 100.0945 cm^3
• Polarizability: 32.74591 Å^3
• Polar Surface Area: 81.14 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.44
• LOG S: -3.58
• Polar Surface Area: 81.14 Å^2
• Rotatable Bonds: 6