4-{5-ethylpyrazolo[1,5-a]pyrimidin-7-yl}-2-phenylmorpholine

• ChemBase ID: 681067
• Molecular Formular: C18H20N4O
• Molecular Mass: 308.3776
• Monoisotopic Mass: 308.16371128
• SMILES: n12c(N3CC(OCC3)c3ccccc3)cc(nc1ccn2)CC
• Canonical SMILES: CCc1cc(N2CCOC(C2)c2ccccc2)n2c(n1)ccn2
• InChI: InChI=1S/C18H20N4O/c1-2-15-12-18(22-17(20-15)8-9-19-22)21-10-11-23-16(13-21)14-6-4-3-5-7-14/h3-9,12,16H,2,10-11,13H2,1H3
• InChIKey: YKTJPRODRAQBOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{5-ethylpyrazolo[1,5-a]pyrimidin-7-yl}-2-phenylmorpholine
• IUPAC Traditional name: 4-{5-ethylpyrazolo[1,5-a]pyrimidin-7-yl}-2-phenylmorpholine
• Synonyms: 5-ethyl-7-(2-phenylmorpholin-4-yl)pyrazolo[1,5-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.2479072
• LogD (pH = 7.4): 3.2479527
• Log P: 3.2479532
• Molar Refractivity: 100.0312 cm^3
• Polarizability: 34.043488 Å^3
• Polar Surface Area: 42.66 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.93
• LOG S: -3.95
• Polar Surface Area: 42.66 Å^2
• Rotatable Bonds: 3