6-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-methyl-8-oxo-7-(prop-2-en-1-yl)-7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

• ChemBase ID: 487169
• Molecular Formular: C19H19FN4O3
• Molecular Mass: 370.3775632
• Monoisotopic Mass: 370.14411871
• SMILES: c1(nc2n(cc(n(c2=O)CC=C)c2ccc(cc2)F)c1)C(=O)N(CCO)C
• Canonical SMILES: OCCN(C(=O)c1nc2n(c1)cc(n(c2=O)CC=C)c1ccc(cc1)F)C
• InChI: InChI=1S/C19H19FN4O3/c1-3-8-24-16(13-4-6-14(20)7-5-13)12-23-11-15(21-17(23)19(24)27)18(26)22(2)9-10-25/h3-7,11-12,25H,1,8-10H2,2H3
• InChIKey: FMRCLOQTANWYJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-methyl-8-oxo-7-(prop-2-en-1-yl)-7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• IUPAC Traditional name: 6-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-methyl-8-oxo-7-(prop-2-en-1-yl)imidazo[1,2-a]pyrazine-2-carboxamide
• Synonyms: 7-allyl-6-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-methyl-8-oxo-7,8-dihydroimidazo[1,2-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.574155
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1063261
• LogD (pH = 7.4): 1.1063261
• Log P: 1.1063261
• Molar Refractivity: 99.5214 cm^3
• Polarizability: 36.43766 Å^3
• Polar Surface Area: 78.67 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.46
• LOG S: -2.29
• Polar Surface Area: 79.84 Å^2
• Rotatable Bonds: 6