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Search term: ABOVYMHNWMNJJT-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-{5-[(7-Isopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)carbonyl]-2-oxo-1,2-dihydro-3-pyridinyl}-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide | C22H20F3N7O3

N-{5-[(7-Isopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)carbonyl]-2-oxo-1,2-dihydro-3-pyridinyl}-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide

  • Molecular FormulaC22H20F3N7O3
  • Average mass487.435 Da
  • Monoisotopic mass487.157959 Da
  • ChemSpider ID58946421

More details:

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

1H-Pyrazole-1-acetamide, N-[1,2-dihydro-5-[[7-(1-methylethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]carbonyl]-2-oxo-3-pyridinyl]-5-methyl-3-(trifluoromethyl)- [ACD/Index Name]
N-{5-[(7-Isopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)carbonyl]-2-oxo-1,2-dihydro-3-pyridinyl}-2-[5-methyl-3-(trifluormethyl)-1H-pyrazol-1-yl]acetamid [German] [ACD/IUPAC Name]
N-{5-[(7-Isopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)carbonyl]-2-oxo-1,2-dihydro-3-pyridinyl}-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide [ACD/IUPAC Name]
N-{5-[(7-Isopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)carbonyl]-2-oxo-1,2-dihydro-3-pyridinyl}-2-[5-méthyl-3-(trifluorométhyl)-1H-pyrazol-1-yl]acétamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 690.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 371.5±31.5 °C
Index of Refraction: 1.665
Molar Refractivity: 119.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.11
ACD/LogD (pH 5.5): 0.53
ACD/BCF (pH 5.5): 1.49
ACD/KOC (pH 5.5): 46.27
ACD/LogD (pH 7.4): 0.52
ACD/BCF (pH 7.4): 1.46
ACD/KOC (pH 7.4): 45.13
Polar Surface Area: 124 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 52.1±7.0 dyne/cm
Molar Volume: 320.7±7.0 cm3

Click to predict properties on the Chemicalize site


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