ChemSpider 2D Image | 3-[(3-exo)-3-({7-[(5-Methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl}amino)-8-azabicyclo[3.2.1]oct-8-yl]propanenitrile | C22H26N8

3-[(3-exo)-3-({7-[(5-Methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl}amino)-8-azabicyclo[3.2.1]oct-8-yl]propanenitrile

  • Molecular FormulaC22H26N8
  • Average mass402.495 Da
  • Monoisotopic mass402.228058 Da
  • ChemSpider ID75536963

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3-[(3-exo)-3-({7-[(5-Methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl}amino)-8-azabicyclo[3.2.1]oct-8-yl]propanenitrile [ACD/IUPAC Name]
3-[(3-exo)-3-({7-[(5-Methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl}amino)-8-azabicyclo[3.2.1]oct-8-yl]propannitril [German] [ACD/IUPAC Name]
3-[(3-exo)-3-({7-[(5-Méthyl-1H-pyrazol-3-yl)amino]-1,6-naphtyridin-5-yl}amino)-8-azabicyclo[3.2.1]oct-8-yl]propanenitrile [French] [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octane-8-propanenitrile, 3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-, (3-exo)- [ACD/Index Name]
2051918-33-1 [RN]
3-[(1R,5S)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
Izencitinib

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

Density: 1.3±0.1 g/cm3
Boiling Point: 691.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 372.2±31.5 °C
Index of Refraction: 1.712
Molar Refractivity: 117.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.22
ACD/LogD (pH 5.5): -0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 2.00
ACD/KOC (pH 7.4): 17.52
Polar Surface Area: 106 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 78.2±3.0 dyne/cm
Molar Volume: 300.8±3.0 cm3

Click to predict properties on the Chemicalize site


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