ChemSpider 2D Image | (3-endo)-3-{6-[(3R)-3-Methyl-4-morpholinyl]-1-(1H-pyrazol-3-yl)-1H-pyrazolo[3,4-b]pyridin-4-yl}-8-oxabicyclo[3.2.1]octan-3-ol | C21H26N6O3

(3-endo)-3-{6-[(3R)-3-Methyl-4-morpholinyl]-1-(1H-pyrazol-3-yl)-1H-pyrazolo[3,4-b]pyridin-4-yl}-8-oxabicyclo[3.2.1]octan-3-ol

  • Molecular FormulaC21H26N6O3
  • Average mass410.470 Da
  • Monoisotopic mass410.206635 Da
  • ChemSpider ID115009619

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3-endo)-3-{6-[(3R)-3-Methyl-4-morpholinyl]-1-(1H-pyrazol-3-yl)-1H-pyrazolo[3,4-b]pyridin-4-yl}-8-oxabicyclo[3.2.1]octan-3-ol [German] [ACD/IUPAC Name]
(3-endo)-3-{6-[(3R)-3-Methyl-4-morpholinyl]-1-(1H-pyrazol-3-yl)-1H-pyrazolo[3,4-b]pyridin-4-yl}-8-oxabicyclo[3.2.1]octan-3-ol [ACD/IUPAC Name]
(3-endo)-3-{6-[(3R)-3-Méthyl-4-morpholinyl]-1-(1H-pyrazol-3-yl)-1H-pyrazolo[3,4-b]pyridin-4-yl}-8-oxabicyclo[3.2.1]octan-3-ol [French] [ACD/IUPAC Name]
8-Oxabicyclo[3.2.1]octan-3-ol, 3-[6-[(3R)-3-methyl-4-morpholinyl]-1-(1H-pyrazol-3-yl)-1H-pyrazolo[3,4-b]pyridin-4-yl]-, (3-endo) [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 666.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.0±3.0 kJ/mol
Flash Point: 357.1±31.5 °C
Index of Refraction: 1.793
Molar Refractivity: 108.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.53
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.29
ACD/KOC (pH 5.5): 34.34
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 2.54
ACD/KOC (pH 7.4): 67.59
Polar Surface Area: 101 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 69.6±7.0 dyne/cm
Molar Volume: 254.5±7.0 cm3

Click to predict properties on the Chemicalize site


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