6-(4-fluorophenyl)-N-(3-hydroxypropyl)-8-oxo-7-(prop-2-en-1-yl)-7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

• ChemBase ID: 623587
• 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)NCCCO
• Canonical SMILES: OCCCNC(=O)c1nc2n(c1)cc(n(c2=O)CC=C)c1ccc(cc1)F
• InChI: InChI=1S/C19H19FN4O3/c1-2-9-24-16(13-4-6-14(20)7-5-13)12-23-11-15(22-17(23)19(24)27)18(26)21-8-3-10-25/h2,4-7,11-12,25H,1,3,8-10H2,(H,21,26)
• InChIKey: QJCQVGSGZJMTHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-fluorophenyl)-N-(3-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-(3-hydroxypropyl)-8-oxo-7-(prop-2-en-1-yl)imidazo[1,2-a]pyrazine-2-carboxamide
• Synonyms: 7-allyl-6-(4-fluorophenyl)-N-(3-hydroxypropyl)-8-oxo-7,8-dihydroimidazo[1,2-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.937373
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.9426097
• LogD (pH = 7.4): 0.94260967
• Log P: 0.9426098
• Molar Refractivity: 99.4901 cm^3
• Polarizability: 36.43778 Å^3
• Polar Surface Area: 87.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.1
• LOG S: -2.84
• Polar Surface Area: 88.63 Å^2
• Rotatable Bonds: 7