N-[2-(2-ethyl-1H-imidazol-1-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 573961
• Molecular Formular: C21H20FN5O
• Molecular Mass: 377.4148032
• Monoisotopic Mass: 377.16518851
• SMILES: n12c(nc(c2)c2ccc(cc2)F)ccc(c1)C(=O)NCCn1c(ncc1)CC
• Canonical SMILES: CCc1nccn1CCNC(=O)c1ccc2n(c1)cc(n2)c1ccc(cc1)F
• InChI: InChI=1S/C21H20FN5O/c1-2-19-23-9-11-26(19)12-10-24-21(28)16-5-8-20-25-18(14-27(20)13-16)15-3-6-17(22)7-4-15/h3-9,11,13-14H,2,10,12H2,1H3,(H,24,28)
• InChIKey: QZDNIUWTTHOMLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-ethyl-1H-imidazol-1-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-[2-(2-ethylimidazol-1-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-[2-(2-ethyl-1H-imidazol-1-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.222275
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5552694
• LogD (pH = 7.4): 2.5421696
• Log P: 2.740171
• Molar Refractivity: 105.9002 cm^3
• Polarizability: 40.413155 Å^3
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.28
• LOG S: -3.9
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 6