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

• ChemBase ID: 340376
• 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)N[C@@H](CO)CC
• Canonical SMILES: CC[C@@H](NC(=O)c1cn2c(n1)c(=O)n(c(c2)c1ccc(cc1)OC)C)CO
• InChI: InChI=1S/C19H22N4O4/c1-4-13(11-24)20-18(25)15-9-23-10-16(22(2)19(26)17(23)21-15)12-5-7-14(27-3)8-6-12/h5-10,13,24H,4,11H2,1-3H3,(H,20,25)/t13-/m1/s1
• InChIKey: RNLRXGSFRMHYEH-CYBMUJFWSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Lipinski's Rule of Five: true
• Acid pKa: 13.98354
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.7901244
• LogD (pH = 7.4): 0.7901243
• Log P: 0.7901244
• Molar Refractivity: 100.6516 cm^3
• Polarizability: 37.669594 Å^3
• Polar Surface Area: 96.69 Å^2
• Rotatable Bonds: 6

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.94
• LOG S: -2.7
• Polar Surface Area: 97.86 Å^2
• Rotatable Bonds: 6