ChemSpider 2D Image | 3-[(2-{[1-(N,N-Dimethylglycyl)-6-methoxy-4,4-dimethyl-1,2,3,4-tetrahydro-7-quinolinyl]amino}-1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-thiophenecarboxamide | C27H32N8O3S

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

  • Molecular FormulaC27H32N8O3S
  • Average mass548.660 Da
  • Monoisotopic mass548.231812 Da
  • ChemSpider ID24691698

More details:

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

1123163-20-1 [RN]
2-Thiophenecarboxamide, 3-[[2-[[1-[2-(dimethylamino)acetyl]-1,2,3,4-tetrahydro-6-methoxy-4,4-dimethyl-7-quinolinyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]- [ACD/Index Name]
3-[(2-{[1-(N,N-Dimethylglycyl)-6-methoxy-4,4-dimethyl-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-4,4-diméthyl-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-4,4-dimethyl-1,2,3,4-tetrahydro-7-quinolinyl]amino}-1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-thiophenecarboxamide [ACD/IUPAC Name]
3-[(2-{[1-(N,N-Dimethylglycyl)-6-Methoxy-4,4-Dimethyl-1,2,3,4-Tetrahydroquinolin-7-Yl]amino}-7h-Pyrrolo[2,3-D]pyrimidin-4-Yl)amino]thiophene-2-Carboxamide
3-{[2-({1-[2-(dimethylamino)acetyl]-6-methoxy-4,4-dimethyl-1,2,3,4-tetrahydroquinolin-7-yl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}thiophene-2-carboxamide
3-[[2-[[1-[2-(dimethylamino)acetyl]-6-methoxy-4,4-dimethyl-2,3-dihydroquinolin-7-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]thiophene-2-carboxamide
GSK2163632A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL463931/

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: 1.700
Molar Refractivity: 154.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.45
ACD/LogD (pH 5.5): -0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 25.56
ACD/KOC (pH 7.4): 251.65
Polar Surface Area: 170 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 70.9±3.0 dyne/cm
Molar Volume: 400.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement