ChemSpider 2D Image | 7-Cyclopentyl-N,N-bis[(~2~H_3_)methyl]-2-{[5-(1-piperazinyl)-2-pyridinyl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide | C23H24D6N8O

7-Cyclopentyl-N,N-bis[(2H3)methyl]-2-{[5-(1-piperazinyl)-2-pyridinyl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide

  • Molecular FormulaC23H24D6N8O
  • Average mass440.574 Da
  • Monoisotopic mass440.291931 Da
  • ChemSpider ID58780038

  • Non-standard isotope - Non-standard isotope

More details:

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

7-Cyclopentyl-N,N-bis[(2H3)methyl]-2-{[5-(1-piperazinyl)-2-pyridinyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-carboxamid [German] [ACD/IUPAC Name]
7-Cyclopentyl-N,N-bis[(2H3)methyl]-2-{[5-(1-piperazinyl)-2-pyridinyl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide [ACD/IUPAC Name]
7-Cyclopentyl-N,N-bis[(2H3)méthyl]-2-{[5-(1-pipérazinyl)-2-pyridinyl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide [French] [ACD/IUPAC Name]
7H-Pyrrolo[2,3-d]pyrimidine-6-carboxamide, 7-cyclopentyl-N,N-di(methyl-d3)-2-[[5-(1-piperazinyl)-2-pyridinyl]amino]- [ACD/Index Name]
1328934-40-2 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4468983/
LEE011-d6

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

Density: 1.4±0.1 g/cm3
Boiling Point: 730.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.7±3.0 kJ/mol
Flash Point: 395.8±35.7 °C
Index of Refraction: 1.723
Molar Refractivity: 123.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.74
ACD/LogD (pH 5.5): -2.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.63
Polar Surface Area: 91 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 58.2±7.0 dyne/cm
Molar Volume: 311.4±7.0 cm3

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