5-fluoro-2-{5H,6H,7H,8H-imidazo[1,5-a]pyrazin-7-yl}-3,8-dimethylquinoline

• ChemBase ID: 478093
• Molecular Formular: C17H17FN4
• Molecular Mass: 296.3420832
• Monoisotopic Mass: 296.14372478
• SMILES: c1(nc2c(cc1C)c(ccc2C)F)N1Cc2n(cnc2)CC1
• Canonical SMILES: Cc1cc2c(F)ccc(c2nc1N1CCn2c(C1)cnc2)C
• InChI: InChI=1S/C17H17FN4/c1-11-3-4-15(18)14-7-12(2)17(20-16(11)14)21-5-6-22-10-19-8-13(22)9-21/h3-4,7-8,10H,5-6,9H2,1-2H3
• InChIKey: NYFVKHWIXSKLBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-2-{5H,6H,7H,8H-imidazo[1,5-a]pyrazin-7-yl}-3,8-dimethylquinoline
• IUPAC Traditional name: 5-fluoro-2-{5H,6H,8H-imidazo[1,5-a]pyrazin-7-yl}-3,8-dimethylquinoline
• Synonyms: 2-(5,6-dihydroimidazo[1,5-a]pyrazin-7(8H)-yl)-5-fluoro-3,8-dimethylquinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6853123
• LogD (pH = 7.4): 3.5401187
• Log P: 3.581102
• Molar Refractivity: 85.3928 cm^3
• Polarizability: 32.374046 Å^3
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 1.29
• LOG S: -2.46
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 1