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

• ChemBase ID: 510976
• Molecular Formular: C15H15FN4O2
• Molecular Mass: 302.3036032
• Monoisotopic Mass: 302.11790396
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)C(=O)Nc1cc(F)ccc1
• Canonical SMILES: Fc1cccc(c1)NC(=O)C(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C15H15FN4O2/c16-10-4-3-5-11(8-10)18-14(21)15(22)19-13-9-17-12-6-1-2-7-20(12)13/h3-5,8-9H,1-2,6-7H2,(H,18,21)(H,19,22)
• InChIKey: OMNVMGZLBSRHTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.830306
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.1029352
• LogD (pH = 7.4): 1.7114601
• Log P: 1.7366875
• Molar Refractivity: 80.2514 cm^3
• Polarizability: 29.046726 Å^3
• Polar Surface Area: 76.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.89
• LOG S: -3.02
• Polar Surface Area: 76.02 Å^2
• Rotatable Bonds: 3