7-(2-fluoro-6-methoxybenzoyl)-5H,6H,7H,8H-imidazo[1,5-a]pyrazine

• ChemBase ID: 534799
• Molecular Formular: C14H14FN3O2
• Molecular Mass: 275.2782632
• Monoisotopic Mass: 275.10700492
• SMILES: C(=O)(N1Cc2n(cnc2)CC1)c1c(F)cccc1OC
• Canonical SMILES: COc1cccc(c1C(=O)N1CCn2c(C1)cnc2)F
• InChI: InChI=1S/C14H14FN3O2/c1-20-12-4-2-3-11(15)13(12)14(19)17-5-6-18-9-16-7-10(18)8-17/h2-4,7,9H,5-6,8H2,1H3
• InChIKey: YCJIJULMTCYXND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2-fluoro-6-methoxybenzoyl)-5H,6H,7H,8H-imidazo[1,5-a]pyrazine
• IUPAC Traditional name: 7-(2-fluoro-6-methoxybenzoyl)-5H,6H,8H-imidazo[1,5-a]pyrazine
• Synonyms: 7-(2-fluoro-6-methoxybenzoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.36132178
• LogD (pH = 7.4): 0.80261666
• Log P: 0.83442426
• Molar Refractivity: 71.982 cm^3
• Polarizability: 26.616404 Å^3
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: -0.45
• LOG S: -2.13
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 2