ChemSpider 2D Image | 5-[(4-{1-[(1-Isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidinyl}-2-pyrimidinyl)amino]-2-pyridinecarbonitrile | C23H28N8

5-[(4-{1-[(1-Isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidinyl}-2-pyrimidinyl)amino]-2-pyridinecarbonitrile

  • Molecular FormulaC23H28N8
  • Average mass416.522 Da
  • Monoisotopic mass416.243683 Da
  • ChemSpider ID68643931

More details:

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

2-Pyridinecarbonitrile, 5-[[4-[1-[[3,5-dimethyl-1-(1-methylethyl)-1H-pyrazol-4-yl]methyl]-2-pyrrolidinyl]-2-pyrimidinyl]amino]- [ACD/Index Name]
5-[(4-{1-[(1-Isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidinyl}-2-pyrimidinyl)amino]-2-pyridincarbonitril [German] [ACD/IUPAC Name]
5-[(4-{1-[(1-Isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidinyl}-2-pyrimidinyl)amino]-2-pyridinecarbonitrile [ACD/IUPAC Name]
5-[(4-{1-[(1-Isopropyl-3,5-diméthyl-1H-pyrazol-4-yl)méthyl]-2-pyrrolidinyl}-2-pyrimidinyl)amino]-2-pyridinecarbonitrile [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: 624.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 331.3±34.3 °C
Index of Refraction: 1.674
Molar Refractivity: 122.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.98
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 18.17
ACD/KOC (pH 7.4): 235.52
Polar Surface Area: 96 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 49.5±7.0 dyne/cm
Molar Volume: 326.9±7.0 cm3

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