2-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-{5-methylpyrazolo[1,5-a]pyrimidin-7-yl}morpholine

• ChemBase ID: 342882
• Molecular Formular: C16H20N6O3
• Molecular Mass: 344.3684
• Monoisotopic Mass: 344.15968853
• SMILES: n12c(N3CC(Cc4nc(no4)COC)OCC3)cc(nc1ccn2)C
• Canonical SMILES: COCc1noc(n1)CC1OCCN(C1)c1cc(C)nc2n1ncc2
• InChI: InChI=1S/C16H20N6O3/c1-11-7-16(22-14(18-11)3-4-17-22)21-5-6-24-12(9-21)8-15-19-13(10-23-2)20-25-15/h3-4,7,12H,5-6,8-10H2,1-2H3
• InChIKey: IFQHJIARFMAYCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-{5-methylpyrazolo[1,5-a]pyrimidin-7-yl}morpholine
• IUPAC Traditional name: 2-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-{5-methylpyrazolo[1,5-a]pyrimidin-7-yl}morpholine
• Synonyms: 7-(2-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-morpholinyl)-5-methylpyrazolo[1,5-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 1.0767899
• LogD (pH = 7.4): 1.0768372
• Log P: 1.0768378
• Molar Refractivity: 101.1246 cm^3
• Polarizability: 33.565567 Å^3
• Polar Surface Area: 90.81 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: -0.1
• LOG S: -2.94
• Polar Surface Area: 90.81 Å^2
• Rotatable Bonds: 5