ChemSpider 2D Image | 2-(1-{[4-(2-Pyridinyl)-1-piperazinyl]carbonyl}-4-piperidinyl)-N-(1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide | C28H33N9O2S

2-(1-{[4-(2-Pyridinyl)-1-piperazinyl]carbonyl}-4-piperidinyl)-N-(1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide

  • Molecular FormulaC28H33N9O2S
  • Average mass559.686 Da
  • Monoisotopic mass559.247803 Da
  • ChemSpider ID3095478

More details:

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

2-(1-{[4-(2-Pyridinyl)-1-piperazinyl]carbonyl}-4-piperidinyl)-N-(1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-4-carboxamid [German] [ACD/IUPAC Name]
2-(1-{[4-(2-Pyridinyl)-1-piperazinyl]carbonyl}-4-piperidinyl)-N-(1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide [ACD/IUPAC Name]
2-(1-{[4-(2-Pyridinyl)-1-pipérazinyl]carbonyl}-4-pipéridinyl)-N-(1,4,6-triméthyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide [French] [ACD/IUPAC Name]
4-Thiazolecarboxamide, 2-[1-[[4-(2-pyridinyl)-1-piperazinyl]carbonyl]-4-piperidinyl]-N-(1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 711.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 384.1±32.9 °C
Index of Refraction: 1.748
Molar Refractivity: 156.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.82
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 4.21
ACD/KOC (pH 7.4): 48.79
Polar Surface Area: 141 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 62.2±7.0 dyne/cm
Molar Volume: 384.6±7.0 cm3

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