6-(2-chlorophenyl)-N-ethyl-N-methyl-8-oxo-7-(prop-2-en-1-yl)-7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

• ChemBase ID: 721166
• Molecular Formular: C19H19ClN4O2
• Molecular Mass: 370.83276
• Monoisotopic Mass: 370.11965355
• SMILES: c1(nc2n(cc(n(c2=O)CC=C)c2c(Cl)cccc2)c1)C(=O)N(CC)C
• Canonical SMILES: C=CCn1c(cn2c(c1=O)nc(c2)C(=O)N(CC)C)c1ccccc1Cl
• InChI: InChI=1S/C19H19ClN4O2/c1-4-10-24-16(13-8-6-7-9-14(13)20)12-23-11-15(18(25)22(3)5-2)21-17(23)19(24)26/h4,6-9,11-12H,1,5,10H2,2-3H3
• InChIKey: DNGLAFRJWVTATK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2-chlorophenyl)-N-ethyl-N-methyl-8-oxo-7-(prop-2-en-1-yl)-7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• IUPAC Traditional name: 6-(2-chlorophenyl)-N-ethyl-N-methyl-8-oxo-7-(prop-2-en-1-yl)imidazo[1,2-a]pyrazine-2-carboxamide
• Synonyms: 7-allyl-6-(2-chlorophenyl)-N-ethyl-N-methyl-8-oxo-7,8-dihydroimidazo[1,2-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6145787
• LogD (pH = 7.4): 2.6145787
• Log P: 2.6145787
• Molar Refractivity: 102.5661 cm^3
• Polarizability: 37.98199 Å^3
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.98
• LOG S: -3.6
• Polar Surface Area: 59.61 Å^2
• Rotatable Bonds: 5