N-[(5-ethylpyridin-2-yl)methyl]-N,2,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 690829
• Molecular Formular: C17H21N5
• Molecular Mass: 295.38214
• Monoisotopic Mass: 295.1796957
• SMILES: n12c(nc(cc1N(Cc1ncc(cc1)CC)C)C)cc(n2)C
• Canonical SMILES: CCc1ccc(nc1)CN(c1cc(C)nc2n1nc(c2)C)C
• InChI: InChI=1S/C17H21N5/c1-5-14-6-7-15(18-10-14)11-21(4)17-9-12(2)19-16-8-13(3)20-22(16)17/h6-10H,5,11H2,1-4H3
• InChIKey: ICSGWBZWOUYVTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.6099129
• LogD (pH = 7.4): 2.6586502
• Log P: 2.6593106
• Molar Refractivity: 98.2142 cm^3
• Polarizability: 33.0272 Å^3
• Polar Surface Area: 46.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.24
• LOG S: -2.82
• Polar Surface Area: 46.32 Å^2
• Rotatable Bonds: 4