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Search term: GPSQYTDPBDNDGI (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-(4-Phenoxyphenyl)-1-[(3R)-(2,2,6,6-~2~H_4_)-3-piperidinyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine | C22H18D4N6O

3-(4-Phenoxyphenyl)-1-[(3R)-(2,2,6,6-2H4)-3-piperidinyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

  • Molecular FormulaC22H18D4N6O
  • Average mass390.474 Da
  • Monoisotopic mass390.210602 Da
  • ChemSpider ID107447236

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 3-(4-phenoxyphenyl)-1-[(3R)-3-piperidinyl-2,2,6,6-d4]- [ACD/Index Name]
3-(4-Phenoxyphenyl)-1-[(3R)-(2,2,6,6-2H4)-3-piperidinyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
3-(4-Phenoxyphenyl)-1-[(3R)-(2,2,6,6-2H4)-3-piperidinyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine [ACD/IUPAC Name]
3-(4-Phénoxyphényl)-1-[(3R)-(2,2,6,6-2H4)-3-pipéridinyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 626.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 332.6±31.5 °C
Index of Refraction: 1.731
Molar Refractivity: 110.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.25
ACD/LogD (pH 5.5): -0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.02
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 2.90
ACD/KOC (pH 7.4): 27.98
Polar Surface Area: 91 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 59.6±7.0 dyne/cm
Molar Volume: 276.9±7.0 cm3

Click to predict properties on the Chemicalize site


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