ChemSpider 2D Image | GNE-9605 | C17H20ClF4N7O

GNE-9605

  • Molecular FormulaC17H20ClF4N7O
  • Average mass449.834 Da
  • Monoisotopic mass449.135406 Da
  • ChemSpider ID31137550

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1536200-31-3 [RN]
2,4-Pyrimidinediamine, N2-[5-chloro-1-[(3S,4S)-3-fluoro-1-(3-oxetanyl)-4-piperidinyl]-1H-pyrazol-4-yl]-N4-methyl-5-(trifluoromethyl)- [ACD/Index Name]
GNE-9605
N2-{5-Chlor-1-[(3S,4S)-3-fluor-1-(3-oxetanyl)-4-piperidinyl]-1H-pyrazol-4-yl}-N4-methyl-5-(trifluormethyl)-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
N2-{5-Chloro-1-[(3S,4S)-3-fluoro-1-(3-oxetanyl)-4-piperidinyl]-1H-pyrazol-4-yl}-N4-methyl-5-(trifluoromethyl)-2,4-pyrimidinediamine [ACD/IUPAC Name]
N2-{5-Chloro-1-[(3S,4S)-3-fluoro-1-(3-oxétanyl)-4-pipéridinyl]-1H-pyrazol-4-yl}-N4-méthyl-5-(trifluorométhyl)-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]
1-(piperidin-4-yl)-1H-imidazo[4,5-b]pyridin-2(3H)-one dihydrochloride
2-N-[5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
BS-15967
GNE 9605
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      GNE-9605 is a highly potent, selective, and brain-penetrant LRRK2 inhibitor with IC50 of 19 nM. MedChem Express
      GNE-9605 is a highly potent, selective, and brain-penetrant LRRK2 inhibitor with IC50 of 19 nM.; IC50 value:; Target: LRRK2; GNE-9605 retained excellent predicted human metabolic stability when assayed in human liver microsomes and hepatocytes. MedChem Express HY-12282
      GNE-9605 is a highly potent, selective, and brain-penetrant LRRK2 inhibitor with IC50 of 19 nM.;IC50 value:;Target: LRRK2GNE-9605 retained excellent predicted human metabolic stability when assayed in human liver microsomes and hepatocytes. Inaddition, no reversible or time-dependent inhibition of any of the major CYP isoforms was observed. The demonstrated metabolic stability, brain penetration across multiple species, and selectivity of these inhibitors support their use in preclinical efficacy and safety studies. MedChem Express HY-12282
      LRRK2 MedChem Express HY-12282
      Neuronal Signaling MedChem Express HY-12282
      Neuronal Signaling; MedChem Express HY-12282

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 587.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.8±3.0 kJ/mol
Flash Point: 309.4±32.9 °C
Index of Refraction: 1.663
Molar Refractivity: 99.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.15
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 15.77
ACD/KOC (pH 5.5): 231.89
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 20.64
ACD/KOC (pH 7.4): 303.54
Polar Surface Area: 80 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 49.8±7.0 dyne/cm
Molar Volume: 269.1±7.0 cm3

Click to predict properties on the Chemicalize site


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