ChemSpider 2D Image | Propyl 2-({[1,3-dimethyl-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridin-4-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate | C27H32N6O3S

Propyl 2-({[1,3-dimethyl-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridin-4-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • Molecular FormulaC27H32N6O3S
  • Average mass520.646 Da
  • Monoisotopic mass520.225647 Da
  • ChemSpider ID12546375

More details:

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

2-({[1,3-Diméthyl-6-(1,3,5-triméthyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridin-4-yl]carbonyl}amino)-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxylate de propyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carboxylic acid, 2-[[[1,3-dimethyl-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridin-4-yl]carbonyl]amino]-4,5,6,7-tetrahydro-, propyl ester [ACD/Index Name]
Propyl 2-({[1,3-dimethyl-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridin-4-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate [ACD/IUPAC Name]
Propyl-2-({[1,3-dimethyl-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridin-4-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxylat [German] [ACD/IUPAC Name]
2-{[1,3-Dimethyl-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-amino}-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid propyl ester
propyl 2-{[1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-4-yl]carbonylamino}-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 664.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.7±3.0 kJ/mol
Flash Point: 355.7±31.5 °C
Index of Refraction: 1.696
Molar Refractivity: 144.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.70
ACD/LogD (pH 5.5): 5.58
ACD/BCF (pH 5.5): 10241.02
ACD/KOC (pH 5.5): 25833.22
ACD/LogD (pH 7.4): 5.58
ACD/BCF (pH 7.4): 10235.03
ACD/KOC (pH 7.4): 25818.11
Polar Surface Area: 132 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 51.7±7.0 dyne/cm
Molar Volume: 374.8±7.0 cm3

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