ChemSpider 2D Image | 7-Cyclopentyl-2-{[5-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-2-pyridinyl]amino}-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide | C26H34N8O

7-Cyclopentyl-2-{[5-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-2-pyridinyl]amino}-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide

  • Molecular FormulaC26H34N8O
  • Average mass474.601 Da
  • Monoisotopic mass474.285553 Da
  • ChemSpider ID58897068

More details:

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

7-Cyclopentyl-2-{[5-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-2-pyridinyl]amino}-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-carboxamid [German] [ACD/IUPAC Name]
7-Cyclopentyl-2-{[5-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-2-pyridinyl]amino}-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide [ACD/IUPAC Name]
7-Cyclopentyl-2-{[5-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-2-pyridinyl]amino}-N,N-diméthyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide [French] [ACD/IUPAC Name]
7H-Pyrrolo[2,3-d]pyrimidine-6-carboxamide, 7-cyclopentyl-2-[[5-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-2-pyridinyl]amino]-N,N-dimethyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 737.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.6±3.0 kJ/mol
Flash Point: 399.9±35.7 °C
Index of Refraction: 1.737
Molar Refractivity: 135.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.57
ACD/LogD (pH 5.5): -1.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 2.09
ACD/KOC (pH 7.4): 37.03
Polar Surface Area: 82 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 59.3±7.0 dyne/cm
Molar Volume: 337.1±7.0 cm3

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