ChemSpider 2D Image | 7-Cyclopentyl-2-{[5-(3,8-diazabicyclo[3.2.1]oct-3-ylmethyl)-2-pyridinyl]amino}-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide | C26H34N8O

7-Cyclopentyl-2-{[5-(3,8-diazabicyclo[3.2.1]oct-3-ylmethyl)-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 ID58899882

More details:

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

7-Cyclopentyl-2-{[5-(3,8-diazabicyclo[3.2.1]oct-3-ylmethyl)-2-pyridinyl]amino}-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-carboxamid [German] [ACD/IUPAC Name]
7-Cyclopentyl-2-{[5-(3,8-diazabicyclo[3.2.1]oct-3-ylmethyl)-2-pyridinyl]amino}-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide [ACD/IUPAC Name]
7-Cyclopentyl-2-{[5-(3,8-diazabicyclo[3.2.1]oct-3-ylméthyl)-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-(3,8-diazabicyclo[3.2.1]oct-3-ylmethyl)-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: 725.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 392.6±35.7 °C
Index of Refraction: 1.749
Molar Refractivity: 134.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.64
ACD/LogD (pH 5.5): -2.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 91 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 60.0±7.0 dyne/cm
Molar Volume: 331.0±7.0 cm3

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