2-(dimethylamino)-2-(2-fluorophenyl)-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}acetamide

• ChemBase ID: 427547
• Molecular Formular: C17H21FN4O
• Molecular Mass: 316.3732432
• Monoisotopic Mass: 316.16993953
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)C(c1c(F)cccc1)N(C)C
• Canonical SMILES: CN(C(c1ccccc1F)C(=O)Nc1cnc2n1CCCC2)C
• InChI: InChI=1S/C17H21FN4O/c1-21(2)16(12-7-3-4-8-13(12)18)17(23)20-15-11-19-14-9-5-6-10-22(14)15/h3-4,7-8,11,16H,5-6,9-10H2,1-2H3,(H,20,23)
• InChIKey: WKXWBJMZXQZGLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-2-(2-fluorophenyl)-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}acetamide
• IUPAC Traditional name: 2-(dimethylamino)-2-(2-fluorophenyl)-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}acetamide
• Synonyms: 2-(dimethylamino)-2-(2-fluorophenyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.228248
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.80508465
• LogD (pH = 7.4): 2.118481
• Log P: 2.1707194
• Molar Refractivity: 87.9661 cm^3
• Polarizability: 32.97305 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.49
• LOG S: -2.78
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 4