ChemSpider 2D Image | 4-[(6-Isopropylthieno[2,3-d]pyrimidin-4-yl)amino]-N-{4-[(4-methyl-1-piperazinyl)methyl]phenyl}-1H-pyrazole-3-carboxamide | C25H30N8OS

4-[(6-Isopropylthieno[2,3-d]pyrimidin-4-yl)amino]-N-{4-[(4-methyl-1-piperazinyl)methyl]phenyl}-1H-pyrazole-3-carboxamide

  • Molecular FormulaC25H30N8OS
  • Average mass490.624 Da
  • Monoisotopic mass490.226318 Da
  • ChemSpider ID76760743

More details:

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

1H-Pyrazole-3-carboxamide, 4-[[6-(1-methylethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-N-[4-[(4-methyl-1-piperazinyl)methyl]phenyl]- [ACD/Index Name]
4-[(6-Isopropylthieno[2,3-d]pyrimidin-4-yl)amino]-N-{4-[(4-methyl-1-piperazinyl)methyl]phenyl}-1H-pyrazol-3-carboxamid [German] [ACD/IUPAC Name]
4-[(6-Isopropylthieno[2,3-d]pyrimidin-4-yl)amino]-N-{4-[(4-methyl-1-piperazinyl)methyl]phenyl}-1H-pyrazole-3-carboxamide [ACD/IUPAC Name]
4-[(6-Isopropylthiéno[2,3-d]pyrimidin-4-yl)amino]-N-{4-[(4-méthyl-1-pipérazinyl)méthyl]phényl}-1H-pyrazole-3-carboxamide [French] [ACD/IUPAC 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: 643.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 342.9±31.5 °C
Index of Refraction: 1.713
Molar Refractivity: 142.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.19
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 44.18
ACD/KOC (pH 7.4): 391.00
Polar Surface Area: 130 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 74.3±3.0 dyne/cm
Molar Volume: 363.4±3.0 cm3

Click to predict properties on the Chemicalize site


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