ChemSpider 2D Image | 3-[(2-{[1-(N,N-Dimethylglycyl)-6-methoxy-1,2,3,4-tetrahydro-7-quinolinyl]amino}-1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-thiophenecarboxamide | C25H28N8O3S

3-[(2-{[1-(N,N-Dimethylglycyl)-6-methoxy-1,2,3,4-tetrahydro-7-quinolinyl]amino}-1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-thiophenecarboxamide

  • Molecular FormulaC25H28N8O3S
  • Average mass520.607 Da
  • Monoisotopic mass520.200500 Da
  • ChemSpider ID24689155

More details:

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

2-Thiophenecarboxamide, 3-[[2-[[1-[2-(dimethylamino)acetyl]-1,2,3,4-tetrahydro-6-methoxy-7-quinolinyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]- [ACD/Index Name]
3-[(2-{[1-(N,N-Dimethylglycyl)-6-methoxy-1,2,3,4-tetrahydro-7-chinolinyl]amino}-1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-thiophencarboxamid [German] [ACD/IUPAC Name]
3-[(2-{[1-(N,N-Diméthylglycyl)-6-méthoxy-1,2,3,4-tétrahydro-7-quinoléinyl]amino}-1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-thiophènecarboxamide [French] [ACD/IUPAC Name]
3-[(2-{[1-(N,N-Dimethylglycyl)-6-methoxy-1,2,3,4-tetrahydro-7-quinolinyl]amino}-1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-thiophenecarboxamide [ACD/IUPAC Name]
GSK2110236A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL456252/

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.736
Molar Refractivity: 145.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.42
ACD/LogD (pH 5.5): -1.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 10.12
ACD/KOC (pH 7.4): 129.67
Polar Surface Area: 170 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 80.8±3.0 dyne/cm
Molar Volume: 362.0±3.0 cm3

Click to predict properties on the Chemicalize site


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