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

• ChemBase ID: 322522
• Molecular Formular: C16H22N6O2
• Molecular Mass: 330.38488
• Monoisotopic Mass: 330.18042397
• SMILES: n12c(cc(nc1ccn2)C(C)C)N(Cc1nc(no1)CCOC)C
• Canonical SMILES: COCCc1noc(n1)CN(c1cc(nc2n1ncc2)C(C)C)C
• InChI: InChI=1S/C16H22N6O2/c1-11(2)12-9-16(22-14(18-12)5-7-17-22)21(3)10-15-19-13(20-24-15)6-8-23-4/h5,7,9,11H,6,8,10H2,1-4H3
• InChIKey: IRESCEFDURJDAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.4943056
• LogD (pH = 7.4): 2.4943497
• Log P: 2.4943504
• Molar Refractivity: 101.5813 cm^3
• Polarizability: 33.543365 Å^3
• Polar Surface Area: 81.58 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.53
• LOG S: -2.92
• Polar Surface Area: 81.58 Å^2
• Rotatable Bonds: 7