ChemSpider 2D Image | 3-{[(2R)-1-(Dimethylamino)-2-propanyl]oxy}-5-{[4-(methylamino)-5-(1-methyl-1H-pyrazol-4-yl)-2-pyridinyl]amino}-2-pyrazinecarbonitrile | C20H25N9O

3-{[(2R)-1-(Dimethylamino)-2-propanyl]oxy}-5-{[4-(methylamino)-5-(1-methyl-1H-pyrazol-4-yl)-2-pyridinyl]amino}-2-pyrazinecarbonitrile

  • Molecular FormulaC20H25N9O
  • Average mass407.472 Da
  • Monoisotopic mass407.218201 Da
  • ChemSpider ID28648306

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Pyrazinecarbonitrile, 3-[(1R)-2-(dimethylamino)-1-methylethoxy]-5-[[4-(methylamino)-5-(1-methyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]- [ACD/Index Name]
3-{[(2R)-1-(Dimethylamino)-2-propanyl]oxy}-5-{[4-(methylamino)-5-(1-methyl-1H-pyrazol-4-yl)-2-pyridinyl]amino}-2-pyrazincarbonitril [German] [ACD/IUPAC Name]
3-{[(2R)-1-(Dimethylamino)-2-propanyl]oxy}-5-{[4-(methylamino)-5-(1-methyl-1H-pyrazol-4-yl)-2-pyridinyl]amino}-2-pyrazinecarbonitrile [ACD/IUPAC Name]
3-{[(2R)-1-(Diméthylamino)-2-propanyl]oxy}-5-{[4-(méthylamino)-5-(1-méthyl-1H-pyrazol-4-yl)-2-pyridinyl]amino}-2-pyrazinecarbonitrile [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 609.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.5±3.0 kJ/mol
Flash Point: 322.3±31.5 °C
Index of Refraction: 1.649
Molar Refractivity: 115.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 0.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.27
ACD/LogD (pH 7.4): 2.25
ACD/BCF (pH 7.4): 19.24
ACD/KOC (pH 7.4): 170.89
Polar Surface Area: 117 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 48.4±7.0 dyne/cm
Molar Volume: 317.6±7.0 cm3

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