6-(4-methoxyphenyl)-N-(3-methoxypropyl)-7-methyl-8-oxo-7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

• ChemBase ID: 552262
• Molecular Formular: C19H22N4O4
• Molecular Mass: 370.40238
• Monoisotopic Mass: 370.1641052
• SMILES: c12n(cc(n(c2=O)C)c2ccc(cc2)OC)cc(n1)C(=O)NCCCOC
• Canonical SMILES: COCCCNC(=O)c1nc2n(c1)cc(n(c2=O)C)c1ccc(cc1)OC
• InChI: InChI=1S/C19H22N4O4/c1-22-16(13-5-7-14(27-3)8-6-13)12-23-11-15(21-17(23)19(22)25)18(24)20-9-4-10-26-2/h5-8,11-12H,4,9-10H2,1-3H3,(H,20,24)
• InChIKey: DVLCQQSOJOWEPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-methoxyphenyl)-N-(3-methoxypropyl)-7-methyl-8-oxo-7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• IUPAC Traditional name: 6-(4-methoxyphenyl)-N-(3-methoxypropyl)-7-methyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide
• Synonyms: 6-(4-methoxyphenyl)-N-(3-methoxypropyl)-7-methyl-8-oxo-7,8-dihydroimidazo[1,2-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.942867
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.5541132
• LogD (pH = 7.4): 0.55411315
• Log P: 0.55411327
• Molar Refractivity: 101.3254 cm^3
• Polarizability: 37.739796 Å^3
• Polar Surface Area: 85.69 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.78
• LOG S: -2.57
• Polar Surface Area: 86.86 Å^2
• Rotatable Bonds: 7