7-[(8-methoxy-2H-chromen-3-yl)methyl]-5H,6H,7H,8H-imidazo[1,5-a]pyrazine

• ChemBase ID: 863563
• Molecular Formular: C17H19N3O2
• Molecular Mass: 297.35166
• Monoisotopic Mass: 297.14772686
• SMILES: c12n(cnc2)CCN(C1)CC1=Cc2c(OC1)c(OC)ccc2
• Canonical SMILES: COc1cccc2c1OCC(=C2)CN1CCn2c(C1)cnc2
• InChI: InChI=1S/C17H19N3O2/c1-21-16-4-2-3-14-7-13(11-22-17(14)16)9-19-5-6-20-12-18-8-15(20)10-19/h2-4,7-8,12H,5-6,9-11H2,1H3
• InChIKey: LUOFBQSHBLQJOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(8-methoxy-2H-chromen-3-yl)methyl]-5H,6H,7H,8H-imidazo[1,5-a]pyrazine
• IUPAC Traditional name: 7-[(8-methoxy-2H-chromen-3-yl)methyl]-5H,6H,8H-imidazo[1,5-a]pyrazine
• Synonyms: 7-[(8-methoxy-2H-chromen-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.47009566
• LogD (pH = 7.4): 1.2109549
• Log P: 1.2685382
• Molar Refractivity: 86.0137 cm^3
• Polarizability: 32.638702 Å^3
• Polar Surface Area: 39.52 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: 1.72
• LOG S: -1.83
• Polar Surface Area: 39.52 Å^2
• Rotatable Bonds: 3