4-{3-ethyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-1,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidine

• ChemBase ID: 496342
• Molecular Formular: C15H19N7
• Molecular Mass: 297.35826
• Monoisotopic Mass: 297.17019364
• SMILES: c12c(N3Cc4c([nH]nc4CC)CC3)nc(nc1n(nc2)C)C
• Canonical SMILES: CCc1n[nH]c2c1CN(CC2)c1nc(C)nc2c1cnn2C
• InChI: InChI=1S/C15H19N7/c1-4-12-11-8-22(6-5-13(11)20-19-12)15-10-7-16-21(3)14(10)17-9(2)18-15/h7H,4-6,8H2,1-3H3,(H,19,20)
• InChIKey: AJUDNJVVIGSMGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{3-ethyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-1,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidine
• IUPAC Traditional name: 4-{3-ethyl-1H,4H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-1,6-dimethylpyrazolo[3,4-d]pyrimidine
• Synonyms: 4-(3-ethyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)-1,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.786204
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.6230346
• LogD (pH = 7.4): 1.762283
• Log P: 1.764376
• Molar Refractivity: 98.0884 cm^3
• Polarizability: 31.578287 Å^3
• Polar Surface Area: 75.52 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.33
• LOG S: -2.96
• Polar Surface Area: 75.52 Å^2
• Rotatable Bonds: 2