4-{2-phenylimidazo[1,2-a]pyridine-6-carbonyl}-2-(trifluoromethyl)morpholine

• ChemBase ID: 396031
• Molecular Formular: C19H16F3N3O2
• Molecular Mass: 375.3444496
• Monoisotopic Mass: 375.11946143
• SMILES: c1(C(=O)N2CC(C(F)(F)F)OCC2)cn2c(nc(c2)c2ccccc2)cc1
• Canonical SMILES: O=C(c1ccc2n(c1)cc(n2)c1ccccc1)N1CCOC(C1)C(F)(F)F
• InChI: InChI=1S/C19H16F3N3O2/c20-19(21,22)16-12-24(8-9-27-16)18(26)14-6-7-17-23-15(11-25(17)10-14)13-4-2-1-3-5-13/h1-7,10-11,16H,8-9,12H2
• InChIKey: VEHGVOOOEMDSHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2-phenylimidazo[1,2-a]pyridine-6-carbonyl}-2-(trifluoromethyl)morpholine
• IUPAC Traditional name: 4-{2-phenylimidazo[1,2-a]pyridine-6-carbonyl}-2-(trifluoromethyl)morpholine
• Synonyms: 2-phenyl-6-{[2-(trifluoromethyl)morpholin-4-yl]carbonyl}imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6995733
• LogD (pH = 7.4): 2.8839931
• Log P: 2.8869803
• Molar Refractivity: 93.7672 cm^3
• Polarizability: 35.43878 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.0
• LOG S: -3.65
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 3