N-[(2-ethoxypyridin-3-yl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 567189
• Molecular Formular: C16H19N5O
• Molecular Mass: 297.35496
• Monoisotopic Mass: 297.15896025
• SMILES: n12c(nc(cc1NCc1c(nccc1)OCC)C)cc(n2)C
• Canonical SMILES: CCOc1ncccc1CNc1cc(C)nc2n1nc(c2)C
• InChI: InChI=1S/C16H19N5O/c1-4-22-16-13(6-5-7-17-16)10-18-14-8-11(2)19-15-9-12(3)20-21(14)15/h5-9,18H,4,10H2,1-3H3
• InChIKey: MJDGJHHBQOEIRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-ethoxypyridin-3-yl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-[(2-ethoxypyridin-3-yl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N-[(2-ethoxypyridin-3-yl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.7771801
• LogD (pH = 7.4): 1.7781644
• Log P: 1.778177
• Molar Refractivity: 96.3847 cm^3
• Polarizability: 31.945864 Å^3
• Polar Surface Area: 64.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.76
• LOG S: -3.73
• Polar Surface Area: 64.34 Å^2
• Rotatable Bonds: 5