7-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide

• ChemBase ID: 521364
• Molecular Formular: C16H15N5O4
• Molecular Mass: 341.3214
• Monoisotopic Mass: 341.11240399
• SMILES: c1(n2c(nc1)CN(C(=O)c1cc3c(NC(=O)CO3)cc1)CC2)C(=O)N
• Canonical SMILES: O=C1COc2c(N1)ccc(c2)C(=O)N1CCn2c(C1)ncc2C(=O)N
• InChI: InChI=1S/C16H15N5O4/c17-15(23)11-6-18-13-7-20(3-4-21(11)13)16(24)9-1-2-10-12(5-9)25-8-14(22)19-10/h1-2,5-6H,3-4,7-8H2,(H2,17,23)(H,19,22)
• InChIKey: FRSANKQRXKCANB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• IUPAC Traditional name: 7-(3-oxo-2,4-dihydro-1,4-benzoxazine-7-carbonyl)-5H,6H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• Synonyms: 7-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)carbonyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.360688
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.4739531
• LogD (pH = 7.4): -1.4458497
• Log P: -1.4454316
• Molar Refractivity: 88.4749 cm^3
• Polarizability: 32.179398 Å^3
• Polar Surface Area: 119.55 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.56
• LOG S: -2.52
• Polar Surface Area: 119.55 Å^2
• Rotatable Bonds: 2