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

• ChemBase ID: 548045
• Molecular Formular: C19H27N7O
• Molecular Mass: 369.46398
• Monoisotopic Mass: 369.22770852
• SMILES: c12c(nc(nc1N(CCc1nc(on1)C(C)C)C)C1CCCC1)n(nc2)C
• Canonical SMILES: CN(c1nc(nc2c1cnn2C)C1CCCC1)CCc1noc(n1)C(C)C
• InChI: InChI=1S/C19H27N7O/c1-12(2)19-21-15(24-27-19)9-10-25(3)17-14-11-20-26(4)18(14)23-16(22-17)13-7-5-6-8-13/h11-13H,5-10H2,1-4H3
• InChIKey: PPVHUFVRUANGGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.3370323
• LogD (pH = 7.4): 4.337123
• Log P: 4.337124
• Molar Refractivity: 116.9546 cm^3
• Polarizability: 39.102623 Å^3
• Polar Surface Area: 85.76 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.77
• LOG S: -5.84
• Polar Surface Area: 85.76 Å^2
• Rotatable Bonds: 6