[2-(2-fluorophenyl)ethyl]({[2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amine

• ChemBase ID: 317738
• Molecular Formular: C21H23FN4O
• Molecular Mass: 366.4319232
• Monoisotopic Mass: 366.1855896
• SMILES: c1(nc2n(c1CNCCc1c(F)cccc1)cccc2)C(=O)N1CCCC1
• Canonical SMILES: O=C(c1nc2n(c1CNCCc1ccccc1F)cccc2)N1CCCC1
• InChI: InChI=1S/C21H23FN4O/c22-17-8-2-1-7-16(17)10-11-23-15-18-20(21(27)25-12-5-6-13-25)24-19-9-3-4-14-26(18)19/h1-4,7-9,14,23H,5-6,10-13,15H2
• InChIKey: NOZVAQQTHVAEJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(2-fluorophenyl)ethyl]({[2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amine
• IUPAC Traditional name: [2-(2-fluorophenyl)ethyl]({[2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amine
• Synonyms: 2-(2-fluorophenyl)-N-{[2-(1-pyrrolidinylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.398955
• LogD (pH = 7.4): 1.2325003
• Log P: 2.4833758
• Molar Refractivity: 104.6867 cm^3
• Polarizability: 38.98718 Å^3
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.26
• LOG S: -4.51
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 6