2-ethoxy-3-{5H,6H,7H,8H-imidazo[1,5-a]pyrazine-7-carbonyl}pyridine

• ChemBase ID: 477301
• Molecular Formular: C14H16N4O2
• Molecular Mass: 272.30244
• Monoisotopic Mass: 272.12732577
• SMILES: C(=O)(N1Cc2n(cnc2)CC1)c1c(nccc1)OCC
• Canonical SMILES: CCOc1ncccc1C(=O)N1CCn2c(C1)cnc2
• InChI: InChI=1S/C14H16N4O2/c1-2-20-13-12(4-3-5-16-13)14(19)17-6-7-18-10-15-8-11(18)9-17/h3-5,8,10H,2,6-7,9H2,1H3
• InChIKey: FGNGIJGUHDXXIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxy-3-{5H,6H,7H,8H-imidazo[1,5-a]pyrazine-7-carbonyl}pyridine
• IUPAC Traditional name: 2-ethoxy-3-{5H,6H,8H-imidazo[1,5-a]pyrazine-7-carbonyl}pyridine
• Synonyms: 7-[(2-ethoxypyridin-3-yl)carbonyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.04784593
• LogD (pH = 7.4): 0.39350706
• Log P: 0.42531538
• Molar Refractivity: 74.6708 cm^3
• Polarizability: 27.858622 Å^3
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.08
• LOG S: -2.43
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 3