ChemSpider 2D Image | 6-(5-Cyano-1H-pyrazolo[3,4-b]pyridin-1-yl)-N-[2-(1,1-dioxido-4-thiomorpholinyl)ethyl]-4-(isopropylamino)nicotinamide | C22H26N8O3S

6-(5-Cyano-1H-pyrazolo[3,4-b]pyridin-1-yl)-N-[2-(1,1-dioxido-4-thiomorpholinyl)ethyl]-4-(isopropylamino)nicotinamide

  • Molecular FormulaC22H26N8O3S
  • Average mass482.559 Da
  • Monoisotopic mass482.184845 Da
  • ChemSpider ID61721500

More details:

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

3-Pyridinecarboxamide, 6-(5-cyano-1H-pyrazolo[3,4-b]pyridin-1-yl)-N-[2-(1,1-dioxido-4-thiomorpholinyl)ethyl]-4-[(1-methylethyl)amino]- [ACD/Index Name]
6-(5-Cyan-1H-pyrazolo[3,4-b]pyridin-1-yl)-N-[2-(1,1-dioxido-4-thiomorpholinyl)ethyl]-4-(isopropylamino)nicotinamid [German] [ACD/IUPAC Name]
6-(5-Cyano-1H-pyrazolo[3,4-b]pyridin-1-yl)-N-[2-(1,1-dioxido-4-thiomorpholinyl)ethyl]-4-(isopropylamino)nicotinamide [ACD/IUPAC Name]
6-(5-Cyano-1H-pyrazolo[3,4-b]pyridin-1-yl)-N-[2-(1,1-dioxydo-4-thiomorpholinyl)éthyl]-4-(isopropylamino)nicotinamide [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: 751.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 408.1±32.9 °C
Index of Refraction: 1.711
Molar Refractivity: 129.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 0.75
ACD/LogD (pH 5.5): -1.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.17
ACD/LogD (pH 7.4): 0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 26.98
Polar Surface Area: 154 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 63.2±7.0 dyne/cm
Molar Volume: 330.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement