({6-chloro-2-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]imidazo[1,2-a]pyridin-3-yl}methyl)[2-(2-fluorophenyl)ethyl]amine

• ChemBase ID: 617308
• Molecular Formular: C23H26ClFN4O2
• Molecular Mass: 444.9295432
• Monoisotopic Mass: 444.17283199
• SMILES: c1(nc2n(c1CNCCc1c(F)cccc1)cc(cc2)Cl)C(=O)N1C[C@H](O[C@H](C1)C)C
• Canonical SMILES: C[C@@H]1O[C@H](C)CN(C1)C(=O)c1nc2n(c1CNCCc1ccccc1F)cc(cc2)Cl
• InChI: InChI=1S/C23H26ClFN4O2/c1-15-12-28(13-16(2)31-15)23(30)22-20(29-14-18(24)7-8-21(29)27-22)11-26-10-9-17-5-3-4-6-19(17)25/h3-8,14-16,26H,9-13H2,1-2H3/t15-,16+
• InChIKey: QNLWJIPAKHQAQS-IYBDPMFKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({6-chloro-2-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]imidazo[1,2-a]pyridin-3-yl}methyl)[2-(2-fluorophenyl)ethyl]amine
• IUPAC Traditional name: ({6-chloro-2-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]imidazo[1,2-a]pyridin-3-yl}methyl)[2-(2-fluorophenyl)ethyl]amine
• Synonyms: N-[(6-chloro-2-{[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]carbonyl}imidazo[1,2-a]pyridin-3-yl)methyl]-2-(2-fluorophenyl)ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.44022107
• LogD (pH = 7.4): 2.0878887
• Log P: 3.2962728
• Molar Refractivity: 119.8626 cm^3
• Polarizability: 45.27861 Å^3
• Polar Surface Area: 58.87 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.54
• LOG S: -5.72
• Polar Surface Area: 58.87 Å^2
• Rotatable Bonds: 6