ChemSpider 2D Image | Ethyl 4-[(2R)-2-(aminomethyl)-4-morpholinyl]-3-(3-cyanophenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate | C21H22N6O3

Ethyl 4-[(2R)-2-(aminomethyl)-4-morpholinyl]-3-(3-cyanophenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

  • Molecular FormulaC21H22N6O3
  • Average mass406.438 Da
  • Monoisotopic mass406.175354 Da
  • ChemSpider ID26325624

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid, 4-[(2R)-2-(aminomethyl)-4-morpholinyl]-3-(3-cyanophenyl)-, ethyl ester [ACD/Index Name]
4-[(2R)-2-(Aminométhyl)-4-morpholinyl]-3-(3-cyanophényl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[(2R)-2-(aminomethyl)-4-morpholinyl]-3-(3-cyanophenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate [ACD/IUPAC Name]
Ethyl-4-[(2R)-2-(aminomethyl)-4-morpholinyl]-3-(3-cyanphenyl)-1H-pyrazolo[3,4-b]pyridin-5-carboxylat [German] [ACD/IUPAC Name]
4YM
Ethyl 4-[(2r)-2-(Aminomethyl)morpholin-4-Yl]-3-(3-Cyanophenyl)-1h-Pyrazolo[3,4-B]pyridine-5-Carboxylate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 672.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 360.8±31.5 °C
Index of Refraction: 1.680
Molar Refractivity: 109.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.44
ACD/LogD (pH 5.5): -2.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 82.0±5.0 dyne/cm
Molar Volume: 289.0±5.0 cm3

Click to predict properties on the Chemicalize site


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