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

• ChemBase ID: 356315
• Molecular Formular: C18H17FN6O2
• Molecular Mass: 368.3649832
• Monoisotopic Mass: 368.13970203
• SMILES: n12c(nc(cc1NCc1nc(on1)CCOC)c1ccc(cc1)F)ccn2
• Canonical SMILES: COCCc1onc(n1)CNc1cc(nc2n1ncc2)c1ccc(cc1)F
• InChI: InChI=1S/C18H17FN6O2/c1-26-9-7-18-23-15(24-27-18)11-20-17-10-14(12-2-4-13(19)5-3-12)22-16-6-8-21-25(16)17/h2-6,8,10,20H,7,9,11H2,1H3
• InChIKey: VSOAMZVPYSORCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 2.6531987
• LogD (pH = 7.4): 2.653237
• Log P: 2.6532376
• Molar Refractivity: 108.5342 cm^3
• Polarizability: 36.849697 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: 1.68
• LOG S: -3.32
• Polar Surface Area: 90.37 Å^2
• Rotatable Bonds: 7