ChemSpider 2D Image | 1-[(3R,4S)-4-Cyanotetrahydro-2H-pyran-3-yl]-3-[(2-fluoro-6-methoxy-4-pyridinyl)amino]-1H-pyrazole-4-carboxamide | C16H17FN6O3

1-[(3R,4S)-4-Cyanotetrahydro-2H-pyran-3-yl]-3-[(2-fluoro-6-methoxy-4-pyridinyl)amino]-1H-pyrazole-4-carboxamide

  • Molecular FormulaC16H17FN6O3
  • Average mass360.343 Da
  • Monoisotopic mass360.134613 Da
  • ChemSpider ID76784061

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[(3R,4S)-4-Cyanotetrahydro-2H-pyran-3-yl]-3-[(2-fluoro-6-methoxy-4-pyridinyl)amino]-1H-pyrazole-4-carboxamide [ACD/IUPAC Name]
1-[(3R,4S)-4-Cyanotétrahydro-2H-pyran-3-yl]-3-[(2-fluoro-6-méthoxy-4-pyridinyl)amino]-1H-pyrazole-4-carboxamide [French] [ACD/IUPAC Name]
1-[(3R,4S)-4-Cyantetrahydro-2H-pyran-3-yl]-3-[(2-fluor-6-methoxy-4-pyridinyl)amino]-1H-pyrazol-4-carboxamid [German] [ACD/IUPAC Name]
1H-Pyrazole-4-carboxamide, 1-[(3R,4S)-4-cyanotetrahydro-2H-pyran-3-yl]-3-[(2-fluoro-6-methoxy-4-pyridinyl)amino]- [ACD/Index 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: 623.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 330.9±31.5 °C
Index of Refraction: 1.680
Molar Refractivity: 88.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.08
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 9.58
ACD/KOC (pH 5.5): 175.42
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 9.58
ACD/KOC (pH 7.4): 175.42
Polar Surface Area: 128 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 58.9±7.0 dyne/cm
Molar Volume: 235.4±7.0 cm3

Click to predict properties on the Chemicalize site


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