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

• ChemBase ID: 677676
• Molecular Formular: C19H19FN4O3
• Molecular Mass: 370.3775632
• Monoisotopic Mass: 370.14411871
• SMILES: c12n(cc(n(c2=O)CC=C)c2ccc(cc2)F)cc(n1)C(=O)NCC(O)C
• Canonical SMILES: C=CCn1c(cn2c(c1=O)nc(c2)C(=O)NCC(O)C)c1ccc(cc1)F
• InChI: InChI=1S/C19H19FN4O3/c1-3-8-24-16(13-4-6-14(20)7-5-13)11-23-10-15(22-17(23)19(24)27)18(26)21-9-12(2)25/h3-7,10-12,25H,1,8-9H2,2H3,(H,21,26)
• InChIKey: BWAGHUWORSKXNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.889371
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.2992251
• LogD (pH = 7.4): 1.299225
• Log P: 1.2992251
• Molar Refractivity: 99.0435 cm^3
• Polarizability: 36.437767 Å^3
• Polar Surface Area: 87.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.36
• LOG S: -3.06
• Polar Surface Area: 88.63 Å^2
• Rotatable Bonds: 6