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

• ChemBase ID: 769244
• Molecular Formular: C17H15FN6O2
• Molecular Mass: 354.3384032
• Monoisotopic Mass: 354.12405197
• SMILES: c1(n2c(nc1)CN(C(=O)c1c(c3c(nc1)ccc(c3)F)N)CC2)C(=O)N
• Canonical SMILES: Fc1ccc2c(c1)c(N)c(cn2)C(=O)N1CCn2c(C1)ncc2C(=O)N
• InChI: InChI=1S/C17H15FN6O2/c18-9-1-2-12-10(5-9)15(19)11(6-21-12)17(26)23-3-4-24-13(16(20)25)7-22-14(24)8-23/h1-2,5-7H,3-4,8H2,(H2,19,21)(H2,20,25)
• InChIKey: PNSNVJIJASHSQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.8725605
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.75863826
• LogD (pH = 7.4): -0.12597826
• Log P: -0.10536903
• Molar Refractivity: 92.5459 cm^3
• Polarizability: 34.676044 Å^3
• Polar Surface Area: 120.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.45
• LOG S: -2.17
• Polar Surface Area: 120.13 Å^2
• Rotatable Bonds: 2