6-cyclopentyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N,1-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

• ChemBase ID: 515110
• Molecular Formular: C17H23N7O
• Molecular Mass: 341.41082
• Monoisotopic Mass: 341.19640839
• SMILES: c12c(nc(nc1N(Cc1nnc(o1)CC)C)C1CCCC1)n(nc2)C
• Canonical SMILES: CCc1nnc(o1)CN(c1nc(nc2c1cnn2C)C1CCCC1)C
• InChI: InChI=1S/C17H23N7O/c1-4-13-21-22-14(25-13)10-23(2)16-12-9-18-24(3)17(12)20-15(19-16)11-7-5-6-8-11/h9,11H,4-8,10H2,1-3H3
• InChIKey: QSTINUBFLGFIAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-cyclopentyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N,1-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
• IUPAC Traditional name: 6-cyclopentyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
• Synonyms: 6-cyclopentyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N,1-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.3408906
• LogD (pH = 7.4): 2.3979838
• Log P: 2.3987627
• Molar Refractivity: 107.8065 cm^3
• Polarizability: 35.506752 Å^3
• Polar Surface Area: 85.76 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: 1.12
• LOG S: -2.65
• Polar Surface Area: 85.76 Å^2
• Rotatable Bonds: 5