4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-({5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl}methyl)piperidine

• ChemBase ID: 751931
• Molecular Formular: C20H26N6O
• Molecular Mass: 366.46004
• Monoisotopic Mass: 366.21680948
• SMILES: c12n(ncc1CN1CCC(Cc3nc(on3)C3CC3)CC1)c(cc(n2)C)C
• Canonical SMILES: Cc1cc(C)n2c(n1)c(cn2)CN1CCC(CC1)Cc1noc(n1)C1CC1
• InChI: InChI=1S/C20H26N6O/c1-13-9-14(2)26-19(22-13)17(11-21-26)12-25-7-5-15(6-8-25)10-18-23-20(27-24-18)16-3-4-16/h9,11,15-16H,3-8,10,12H2,1-2H3
• InChIKey: FJRQUFMOSIRHLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-({5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl}methyl)piperidine
• IUPAC Traditional name: 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-({5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl}methyl)piperidine
• Synonyms: 3-({4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl}methyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.2999261
• LogD (pH = 7.4): 2.0625014
• Log P: 2.6991613
• Molar Refractivity: 115.5092 cm^3
• Polarizability: 38.95235 Å^3
• Polar Surface Area: 72.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.06
• LOG S: -1.77
• Polar Surface Area: 72.35 Å^2
• Rotatable Bonds: 5