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

• ChemBase ID: 699837
• Molecular Formular: C17H21N5O
• Molecular Mass: 311.38154
• Monoisotopic Mass: 311.17461032
• SMILES: n12c(c(c(n1)C)C)nc(cc2NCc1c(nccc1)OCC)C
• Canonical SMILES: CCOc1ncccc1CNc1cc(C)nc2n1nc(c2C)C
• InChI: InChI=1S/C17H21N5O/c1-5-23-17-14(7-6-8-18-17)10-19-15-9-11(2)20-16-12(3)13(4)21-22(15)16/h6-9,19H,5,10H2,1-4H3
• InChIKey: GSBINEZTPIMJCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.2906604
• LogD (pH = 7.4): 2.2915866
• Log P: 2.2915983
• Molar Refractivity: 101.4259 cm^3
• Polarizability: 33.70546 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: 3.22
• LOG S: -4.22
• Polar Surface Area: 64.34 Å^2
• Rotatable Bonds: 5