7-[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)acetyl]-N,N,2-trimethyl-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide

• ChemBase ID: 345734
• Molecular Formular: C17H23N5O5
• Molecular Mass: 377.39502
• Monoisotopic Mass: 377.16991886
• SMILES: N1(C(=O)OC(C1=O)(C)C)CC(=O)N1Cc2n(c(c(n2)C)C(=O)N(C)C)CC1
• Canonical SMILES: O=C(N1CCn2c(C1)nc(c2C(=O)N(C)C)C)CN1C(=O)OC(C1=O)(C)C
• InChI: InChI=1S/C17H23N5O5/c1-10-13(14(24)19(4)5)21-7-6-20(8-11(21)18-10)12(23)9-22-15(25)17(2,3)27-16(22)26/h6-9H2,1-5H3
• InChIKey: OOZJURLBGJIRTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)acetyl]-N,N,2-trimethyl-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• IUPAC Traditional name: 7-[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)acetyl]-N,N,2-trimethyl-5H,6H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• Synonyms: 7-[(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)acetyl]-N,N,2-trimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.999992
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.3156389
• LogD (pH = 7.4): -1.2970194
• Log P: -1.2967764
• Molar Refractivity: 94.0633 cm^3
• Polarizability: 35.7675 Å^3
• Polar Surface Area: 105.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -1.01
• LOG S: -2.4
• Polar Surface Area: 105.05 Å^2
• Rotatable Bonds: 3