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

• ChemBase ID: 330233
• Molecular Formular: C18H18N6O2
• Molecular Mass: 350.37452
• Monoisotopic Mass: 350.14912385
• SMILES: n12c(nc(cc1NCc1nc(no1)CCOC)c1ccccc1)ccn2
• Canonical SMILES: COCCc1noc(n1)CNc1cc(nc2n1ncc2)c1ccccc1
• InChI: InChI=1S/C18H18N6O2/c1-25-10-8-15-22-18(26-23-15)12-19-17-11-14(13-5-3-2-4-6-13)21-16-7-9-20-24(16)17/h2-7,9,11,19H,8,10,12H2,1H3
• InChIKey: CPGCLRZHWUGCHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 2.5062282
• LogD (pH = 7.4): 2.5062666
• Log P: 2.506267
• Molar Refractivity: 108.3178 cm^3
• Polarizability: 37.15361 Å^3
• Polar Surface Area: 90.37 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.75
• LOG S: -3.25
• Polar Surface Area: 90.37 Å^2
• Rotatable Bonds: 7