ChemSpider 2D Image | (2R,4R)-1-(3-Chloro-2-fluorobenzyl)-4-({3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl}methyl)-2-methyl-4-piperidinecarboxylic acid | C24H26ClF2N5O2

(2R,4R)-1-(3-Chloro-2-fluorobenzyl)-4-({3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl}methyl)-2-methyl-4-piperidinecarboxylic acid

  • Molecular FormulaC24H26ClF2N5O2
  • Average mass489.945 Da
  • Monoisotopic mass489.174316 Da
  • ChemSpider ID72380146

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,4R)-1-(3-Chlor-2-fluorbenzyl)-4-({3-fluor-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl}methyl)-2-methyl-4-piperidincarbonsäure [German] [ACD/IUPAC Name]
(2R,4R)-1-(3-Chloro-2-fluorobenzyl)-4-({3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl}methyl)-2-methyl-4-piperidinecarboxylic acid [ACD/IUPAC Name]
(2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-4-({3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridin-2-yl}methyl)-2-methylpiperidine-4-carboxylic acid
1919888-06-4 [RN]
4-Piperidinecarboxylic acid, 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methyl]-2-methyl-, (2R,4R)- [ACD/Index Name]
Acide (2R,4R)-1-(3-chloro-2-fluorobenzyl)-4-({3-fluoro-6-[(5-méthyl-1H-pyrazol-3-yl)amino]-2-pyridinyl}méthyl)-2-méthyl-4-pipéridinecarboxylique [French] [ACD/IUPAC Name]
(2R,4R)-1-(3-Chloro-2-fluorobenzyl)-4-((3-fluoro-6-((5-methyl-1H-pyrazol-3-yl)amino)pyridin-2-yl)methyl)-2-methylpiperidine-4-carboxylic acid
(2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridin-2-yl]methyl]-2-methylpiperidine-4-carboxylic acid
LY3295668
MFCD31807628

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

Density: 1.4±0.1 g/cm3
Boiling Point: 631.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.1±3.0 kJ/mol
Flash Point: 335.6±31.5 °C
Index of Refraction: 1.630
Molar Refractivity: 125.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.17
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 6.76
ACD/KOC (pH 5.5): 26.64
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 6.18
ACD/KOC (pH 7.4): 24.32
Polar Surface Area: 94 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 63.5±3.0 dyne/cm
Molar Volume: 352.2±3.0 cm3

Click to predict properties on the Chemicalize site


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