6-(4-methoxyphenyl)-7-methyl-2-(2-methylpyrrolidine-1-carbonyl)-7H,8H-imidazo[1,2-a]pyrazin-8-one

• ChemBase ID: 575855
• Molecular Formular: C20H22N4O3
• Molecular Mass: 366.41368
• Monoisotopic Mass: 366.16919058
• SMILES: c1(nc2n(cc(n(c2=O)C)c2ccc(cc2)OC)c1)C(=O)N1C(CCC1)C
• Canonical SMILES: COc1ccc(cc1)c1cn2cc(nc2c(=O)n1C)C(=O)N1CCCC1C
• InChI: InChI=1S/C20H22N4O3/c1-13-5-4-10-24(13)19(25)16-11-23-12-17(22(2)20(26)18(23)21-16)14-6-8-15(27-3)9-7-14/h6-9,11-13H,4-5,10H2,1-3H3
• InChIKey: IMZKUGUQPWWKQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-methoxyphenyl)-7-methyl-2-(2-methylpyrrolidine-1-carbonyl)-7H,8H-imidazo[1,2-a]pyrazin-8-one
• IUPAC Traditional name: 6-(4-methoxyphenyl)-7-methyl-2-(2-methylpyrrolidine-1-carbonyl)imidazo[1,2-a]pyrazin-8-one
• Synonyms: 6-(4-methoxyphenyl)-7-methyl-2-[(2-methylpyrrolidin-1-yl)carbonyl]imidazo[1,2-a]pyrazin-8(7H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5871775
• LogD (pH = 7.4): 1.5871775
• Log P: 1.5871775
• Molar Refractivity: 102.273 cm^3
• Polarizability: 38.13581 Å^3
• Polar Surface Area: 67.67 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: 1.06
• LOG S: -2.78
• Polar Surface Area: 68.84 Å^2
• Rotatable Bonds: 3