6-(2-fluoro-4-methoxyphenyl)-7-methyl-2-(2-propyl-2,5-dihydro-1H-pyrrole-1-carbonyl)-7H,8H-imidazo[1,2-a]pyrazin-8-one

• ChemBase ID: 340172
• Molecular Formular: C22H23FN4O3
• Molecular Mass: 410.4414232
• Monoisotopic Mass: 410.17541884
• SMILES: c1(nc2n(cc(n(c2=O)C)c2c(cc(cc2)OC)F)c1)C(=O)N1C(C=CC1)CCC
• Canonical SMILES: CCCC1C=CCN1C(=O)c1nc2n(c1)cc(n(c2=O)C)c1ccc(cc1F)OC
• InChI: InChI=1S/C22H23FN4O3/c1-4-6-14-7-5-10-27(14)21(28)18-12-26-13-19(25(2)22(29)20(26)24-18)16-9-8-15(30-3)11-17(16)23/h5,7-9,11-14H,4,6,10H2,1-3H3
• InChIKey: XGEKEWHUCPVLAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2-fluoro-4-methoxyphenyl)-7-methyl-2-(2-propyl-2,5-dihydro-1H-pyrrole-1-carbonyl)-7H,8H-imidazo[1,2-a]pyrazin-8-one
• IUPAC Traditional name: 6-(2-fluoro-4-methoxyphenyl)-7-methyl-2-(2-propyl-2,5-dihydropyrrole-1-carbonyl)imidazo[1,2-a]pyrazin-8-one
• Synonyms: 6-(2-fluoro-4-methoxyphenyl)-7-methyl-2-[(2-propyl-2,5-dihydro-1H-pyrrol-1-yl)carbonyl]imidazo[1,2-a]pyrazin-8(7H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.6468637
• LogD (pH = 7.4): 2.646864
• Log P: 2.646864
• Molar Refractivity: 112.423 cm^3
• Polarizability: 41.27064 Å^3
• Polar Surface Area: 67.67 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.05
• LOG S: -3.94
• Polar Surface Area: 68.84 Å^2
• Rotatable Bonds: 5