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

• ChemBase ID: 440754
• Molecular Formular: C17H24N6O2
• Molecular Mass: 344.41146
• Monoisotopic Mass: 344.19607404
• SMILES: n12c(c(c(n2)C)C)nc(cc1N(Cc1nc(no1)CCOC)C)CC
• Canonical SMILES: COCCc1noc(n1)CN(c1cc(CC)nc2n1nc(c2C)C)C
• InChI: InChI=1S/C17H24N6O2/c1-6-13-9-16(23-17(18-13)11(2)12(3)20-23)22(4)10-15-19-14(21-25-15)7-8-24-5/h9H,6-8,10H2,1-5H3
• InChIKey: OFEPQXOIDGZDDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.6579099
• LogD (pH = 7.4): 2.6582196
• Log P: 2.6582236
• Molar Refractivity: 106.6395 cm^3
• Polarizability: 35.221027 Å^3
• Polar Surface Area: 81.58 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 7
• H Acceptors: 6
• H Donor: 0
• Log P: 2.1
• LOG S: -3.5
• Polar Surface Area: 81.58 Å^2