4-fluoro-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-3-methylbenzamide

• ChemBase ID: 568907
• Molecular Formular: C15H16FN3O
• Molecular Mass: 273.3054432
• Monoisotopic Mass: 273.12774037
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1cc(c(cc1)F)C
• Canonical SMILES: O=C(c1ccc(c(c1)C)F)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C15H16FN3O/c1-10-8-11(5-6-12(10)16)15(20)18-14-9-17-13-4-2-3-7-19(13)14/h5-6,8-9H,2-4,7H2,1H3,(H,18,20)
• InChIKey: CBHYCSLOHMECQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-3-methylbenzamide
• IUPAC Traditional name: 4-fluoro-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-3-methylbenzamide
• Synonyms: 4-fluoro-3-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.472505
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0445096
• LogD (pH = 7.4): 2.6816916
• Log P: 2.7103875
• Molar Refractivity: 75.8909 cm^3
• Polarizability: 27.68158 Å^3
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.49
• LOG S: -3.32
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 2