7-[1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carbonyl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide

• ChemBase ID: 394627
• Molecular Formular: C19H19FN6O2
• Molecular Mass: 382.3915632
• Monoisotopic Mass: 382.1553521
• SMILES: c1(c(n(nc1C)c1ccc(cc1)F)C)C(=O)N1Cc2n(c(cn2)C(=O)N)CC1
• Canonical SMILES: Fc1ccc(cc1)n1nc(c(c1C)C(=O)N1CCn2c(C1)ncc2C(=O)N)C
• InChI: InChI=1S/C19H19FN6O2/c1-11-17(12(2)26(23-11)14-5-3-13(20)4-6-14)19(28)24-7-8-25-15(18(21)27)9-22-16(25)10-24/h3-6,9H,7-8,10H2,1-2H3,(H2,21,27)
• InChIKey: AOEBSGQFHSVQJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carbonyl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• IUPAC Traditional name: 7-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]-5H,6H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• Synonyms: 7-{[1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbonyl}-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.8725605
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.30393708
• LogD (pH = 7.4): 0.33227667
• Log P: 0.33265227
• Molar Refractivity: 102.0271 cm^3
• Polarizability: 37.546677 Å^3
• Polar Surface Area: 99.04 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.52
• LOG S: -3.29
• Polar Surface Area: 99.04 Å^2
• Rotatable Bonds: 3