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

• ChemBase ID: 580825
• Molecular Formular: C19H16FN5O3S
• Molecular Mass: 413.4254432
• Monoisotopic Mass: 413.09578862
• SMILES: c12n(cc(n(c2=O)C)c2c(cc(cc2)OC)F)cc(n1)C(=O)NCc1nccs1
• Canonical SMILES: COc1ccc(c(c1)F)c1cn2cc(nc2c(=O)n1C)C(=O)NCc1nccs1
• InChI: InChI=1S/C19H16FN5O3S/c1-24-15(12-4-3-11(28-2)7-13(12)20)10-25-9-14(23-17(25)19(24)27)18(26)22-8-16-21-5-6-29-16/h3-7,9-10H,8H2,1-2H3,(H,22,26)
• InChIKey: UIWTUKOFONEJTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.642223
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.1400673
• LogD (pH = 7.4): 1.1402606
• Log P: 1.1402633
• Molar Refractivity: 104.7809 cm^3
• Polarizability: 38.67893 Å^3
• Polar Surface Area: 89.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.69
• LOG S: -3.66
• Polar Surface Area: 90.52 Å^2
• Rotatable Bonds: 5