ChemSpider 2D Image | (2S)-2-{[1-(3-Chloro-2-pyridinyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-3-isopropoxy-N-(5-methyl-2-pyridinyl)propanamide | C22H22ClN7O3

(2S)-2-{[1-(3-Chloro-2-pyridinyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-3-isopropoxy-N-(5-methyl-2-pyridinyl)propanamide

  • Molecular FormulaC22H22ClN7O3
  • Average mass467.908 Da
  • Monoisotopic mass467.147278 Da
  • ChemSpider ID34226418

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-{[1-(3-Chlor-2-pyridinyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-3-isopropoxy-N-(5-methyl-2-pyridinyl)propanamid [German] [ACD/IUPAC Name]
(2S)-2-{[1-(3-Chloro-2-pyridinyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-3-isopropoxy-N-(5-methyl-2-pyridinyl)propanamide [ACD/IUPAC Name]
(2S)-2-{[1-(3-Chloro-2-pyridinyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-3-isopropoxy-N-(5-méthyl-2-pyridinyl)propanamide [French] [ACD/IUPAC Name]
(2s)-2-{[1-(3-Chloropyridin-2-Yl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Yl]oxy}-N-(5-Methylpyridin-2-Yl)-3-(Propan-2-Yloxy)propanamide
Propanamide, 2-[[1-(3-chloro-2-pyridinyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy]-3-(1-methylethoxy)-N-(5-methyl-2-pyridinyl)-, (2S)- [ACD/Index Name]
1JD

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

Density: 1.4±0.1 g/cm3
Boiling Point: 672.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 360.3±31.5 °C
Index of Refraction: 1.677
Molar Refractivity: 123.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 76.31
ACD/KOC (pH 5.5): 773.57
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 76.70
ACD/KOC (pH 7.4): 777.46
Polar Surface Area: 117 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 53.4±7.0 dyne/cm
Molar Volume: 328.4±7.0 cm3

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