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

• ChemBase ID: 321383
• Molecular Formular: C18H20N4O4
• Molecular Mass: 356.3758
• Monoisotopic Mass: 356.14845514
• SMILES: c12n(cc(n(c2=O)C)c2ccc(cc2)OC)cc(n1)C(=O)NCCCO
• Canonical SMILES: OCCCNC(=O)c1nc2n(c1)cc(n(c2=O)C)c1ccc(cc1)OC
• InChI: InChI=1S/C18H20N4O4/c1-21-15(12-4-6-13(26-2)7-5-12)11-22-10-14(20-16(22)18(21)25)17(24)19-8-3-9-23/h4-7,10-11,23H,3,8-9H2,1-2H3,(H,19,24)
• InChIKey: ILJSRRDFEBMEBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.938449
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.08901328
• LogD (pH = 7.4): -0.08901337
• Log P: -0.089013256
• Molar Refractivity: 96.5742 cm^3
• Polarizability: 35.837364 Å^3
• Polar Surface Area: 96.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.15
• LOG S: -3.24
• Polar Surface Area: 97.86 Å^2
• Rotatable Bonds: 6