ChemSpider 2D Image | 8-(2,3-Dihydro-1H-inden-5-yl)-2-({4-[(3R,5S)-3,5-dimethyl-1-piperazinyl]phenyl}amino)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide | C29H31N7O2

8-(2,3-Dihydro-1H-inden-5-yl)-2-({4-[(3R,5S)-3,5-dimethyl-1-piperazinyl]phenyl}amino)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide

  • Molecular FormulaC29H31N7O2
  • Average mass509.602 Da
  • Monoisotopic mass509.253937 Da
  • ChemSpider ID25058465

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

8-(2,3-Dihydro-1H-inden-5-yl)-2-({4-[(3R,5S)-3,5-dimethyl-1-piperazinyl]phenyl}amino)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidin-6-carboxamid [German] [ACD/IUPAC Name]
8-(2,3-Dihydro-1H-inden-5-yl)-2-({4-[(3R,5S)-3,5-dimethyl-1-piperazinyl]phenyl}amino)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide [ACD/IUPAC Name]
8-(2,3-Dihydro-1H-indén-5-yl)-2-({4-[(3R,5S)-3,5-diméthyl-1-pipérazinyl]phényl}amino)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide [French] [ACD/IUPAC Name]
8-(2,3-Dihydro-1h-Inden-5-Yl)-2-({4-[(3r,5s)-3,5-Dimethylpiperazin-1-Yl]phenyl}amino)-5-Oxo-5,8-Dihydropyrido[2,3-D]pyrimidine-6-Carboxamide
Pyrido[2,3-d]pyrimidine-6-carboxamide, 8-(2,3-dihydro-1H-inden-5-yl)-2-[[4-[(3R,5S)-3,5-dimethyl-1-piperazinyl]phenyl]amino]-5,8-dihydro-5-oxo- [ACD/Index Name]
IXH

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

Density: 1.3±0.1 g/cm3
Boiling Point: 793.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.4±3.0 kJ/mol
Flash Point: 433.7±35.7 °C
Index of Refraction: 1.671
Molar Refractivity: 145.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.42
ACD/LogD (pH 5.5): -0.14
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): 2.81
ACD/KOC (pH 7.4): 28.90
Polar Surface Area: 116 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 63.7±3.0 dyne/cm
Molar Volume: 387.6±3.0 cm3

Click to predict properties on the Chemicalize site


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