ChemSpider 2D Image | 2-Amino-1-{3-[(4-chlorophenyl)amino]-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl}ethanone | C22H23ClFN5O

2-Amino-1-{3-[(4-chlorophenyl)amino]-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl}ethanone

  • Molecular FormulaC22H23ClFN5O
  • Average mass427.902 Da
  • Monoisotopic mass427.157501 Da
  • ChemSpider ID30834787

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-Amino-1-{3-[(4-chlorophenyl)amino]-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl}ethanone [ACD/IUPAC Name]
2-Amino-1-{3-[(4-chlorophényl)amino]-2-(4-fluorophényl)-8,8-diméthyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl}éthanone [French] [ACD/IUPAC Name]
2-Amino-1-{3-[(4-chlorphenyl)amino]-2-(4-fluorphenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl}ethanon [German] [ACD/IUPAC Name]
Ethanone, 2-amino-1-[3-[(4-chlorophenyl)amino]-2-(4-fluorophenyl)-5,6-dihydro-8,8-dimethylimidazo[1,2-a]pyrazin-7(8H)-yl]- [ACD/Index Name]
1261114-01-5 [RN]
2-Amino-1-(3-((4-chlorophenyl)amino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)ethan-1-one
2-Amino-1-(3-((4-chlorophenyl)amino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)ethanone
2-amino-1-[3-(4-chloroanilino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]ethanone
2-amino-1-[3-[(4-chlorophenyl)amino]-2-(4-fluorophenyl)-5,6-dihydro-8,8-dimethylimidazo[1,2-a]pyrazin-7(8h)-yl]ethanone
4-Fluoro-4-(m-tolyl)piperidine
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  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Anti-infection MedChem Express HY-15975
      Anti-infection; MedChem Express HY-15975
      Antiparasitic MedChem Express HY-15975
      GNF179 is an optimized 8,8-dimethyl IP analog that exhibited the potency(4.8 nM against the multidrug resistant strain W2) in vitro metabolic stability and in vivo oral bioavailability. MedChem Express
      GNF179 is an optimized 8,8-dimethyl IP analog that exhibited the potency(4.8 nM against the multidrug resistant strain W2) in vitro metabolic stability and in vivo oral bioavailability.; IC50 value: 4.8 nM [1]; Target: Anti-parasitic agent; GNF179 exhibits a low clearance (CL=22 ml/min/kg, ~25% of hepatic blood flow in mice), a large volume of distribution (steady-state volume of distribution, Vss=11.8 l/kg), a moderate residence time (MRT=9 hours) and suitable terminal half-life (t1/2=8.9 hours). MedChem Express HY-15975
      GNF179 is an optimized 8,8-dimethyl IP analog that exhibited the potency(4.8 nM against the multidrug resistant strain W2) in vitro metabolic stability and in vivo oral bioavailability.;IC50 value: 4.8 nM [1];Target: Anti-parasitic agent GNF179 exhibits a low clearance (CL=22 ml/min/kg, ~25% of hepatic blood flow in mice), a large volume of distribution (steady-state volume of distribution, Vss=11.8 l/kg), a moderate residence time (MRT=9 hours) and suitable terminal half-life (t1/2=8.9 hours). GNF179 reduced Plasmodium berghei parasitemia levels by 99.7% with a single 100 mg/kg oral dose, and prolonged mouse survival by an average of 19 days. GNF179 was able to protect against an infectious P. berghei sporozoite challenge with a single oral dose at 15 mg/kg while NITD609 was not. MedChem Express HY-15975

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 656.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.6±3.0 kJ/mol
Flash Point: 350.7±31.5 °C
Index of Refraction: 1.656
Molar Refractivity: 115.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 1.16
ACD/BCF (pH 5.5): 1.31
ACD/KOC (pH 5.5): 9.83
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 86.00
ACD/KOC (pH 7.4): 647.43
Polar Surface Area: 76 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 50.2±7.0 dyne/cm
Molar Volume: 313.4±7.0 cm3

Click to predict properties on the Chemicalize site


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