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

• ChemBase ID: 561237
• Molecular Formular: C20H19FN4O2
• Molecular Mass: 366.3888632
• Monoisotopic Mass: 366.14920409
• SMILES: c12n(cc(n(c2=O)CC=C)c2ccc(cc2)F)cc(n1)C(=O)NC1CCC1
• Canonical SMILES: C=CCn1c(cn2c(c1=O)nc(c2)C(=O)NC1CCC1)c1ccc(cc1)F
• InChI: InChI=1S/C20H19FN4O2/c1-2-10-25-17(13-6-8-14(21)9-7-13)12-24-11-16(23-18(24)20(25)27)19(26)22-15-4-3-5-15/h2,6-9,11-12,15H,1,3-5,10H2,(H,22,26)
• InChIKey: GCTJYELMPAGNHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.048263
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.4828851
• LogD (pH = 7.4): 2.4828851
• Log P: 2.4828851
• Molar Refractivity: 100.1446 cm^3
• Polarizability: 36.894432 Å^3
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.44
• LOG S: -3.96
• Polar Surface Area: 68.4 Å^2
• Rotatable Bonds: 5