ChemSpider 2D Image | 2-{5-Benzyl-2-[1-ethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]-1,3-oxazol-4-yl}-1-(1-pyrrolidinyl)ethanone | C29H34N6O3

2-{5-Benzyl-2-[1-ethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]-1,3-oxazol-4-yl}-1-(1-pyrrolidinyl)ethanone

  • Molecular FormulaC29H34N6O3
  • Average mass514.619 Da
  • Monoisotopic mass514.269226 Da
  • ChemSpider ID35034710

More details:

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

2-{5-Benzyl-2-[1-ethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]-1,3-oxazol-4-yl}-1-(1-pyrrolidinyl)ethanon [German] [ACD/IUPAC Name]
2-{5-Benzyl-2-[1-ethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]-1,3-oxazol-4-yl}-1-(1-pyrrolidinyl)ethanone [ACD/IUPAC Name]
2-{5-Benzyl-2-[1-éthyl-4-(tétrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]-1,3-oxazol-4-yl}-1-(1-pyrrolidinyl)éthanone [French] [ACD/IUPAC Name]
5-[5-Benzyl-4-(2-Oxo-2-Pyrrolidin-1-Ylethyl)-1,3-Oxazol-2-Yl]-1-Ethyl-N-(Tetrahydro-2h-Pyran-4-Yl)-1h-Pyrazolo[3,4-B]pyridin-4-Amine
Ethanone, 2-[2-[1-ethyl-4-[(tetrahydro-2H-pyran-4-yl)amino]-1H-pyrazolo[3,4-b]pyridin-5-yl]-5-(phenylmethyl)-4-oxazolyl]-1-(1-pyrrolidinyl)- [ACD/Index Name]
ZG2

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

Density: 1.4±0.1 g/cm3
Boiling Point: 759.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.7±3.0 kJ/mol
Flash Point: 413.2±35.7 °C
Index of Refraction: 1.691
Molar Refractivity: 144.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 4.10
ACD/BCF (pH 5.5): 759.10
ACD/KOC (pH 5.5): 3978.09
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 781.54
ACD/KOC (pH 7.4): 4095.70
Polar Surface Area: 98 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 55.2±7.0 dyne/cm
Molar Volume: 377.5±7.0 cm3

Click to predict properties on the Chemicalize site


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