5-ethyl-N-methyl-N-(quinoxalin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 587816
• Molecular Formular: C18H18N6
• Molecular Mass: 318.37572
• Monoisotopic Mass: 318.15929461
• SMILES: n12c(cc(nc1ccn2)CC)N(Cc1nc2c(nc1)cccc2)C
• Canonical SMILES: CCc1cc(N(Cc2cnc3c(n2)cccc3)C)n2c(n1)ccn2
• InChI: InChI=1S/C18H18N6/c1-3-13-10-18(24-17(22-13)8-9-20-24)23(2)12-14-11-19-15-6-4-5-7-16(15)21-14/h4-11H,3,12H2,1-2H3
• InChIKey: JHSPDRYBGYXVBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-N-methyl-N-(quinoxalin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-ethyl-N-methyl-N-(quinoxalin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-ethyl-N-methyl-N-(quinoxalin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.8139162
• LogD (pH = 7.4): 2.81399
• Log P: 2.813991
• Molar Refractivity: 102.1567 cm^3
• Polarizability: 36.139053 Å^3
• Polar Surface Area: 59.21 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.89
• LOG S: -5.1
• Polar Surface Area: 59.21 Å^2
• Rotatable Bonds: 4