Found 1 result

Search term: CC(C)(C)c1cccc(NC(=O)c2cccc(c2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c1 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 3-{1-[(3r)-1-Acryloylpiperidin-3-Yl]-4-Amino-1h-Pyrazolo[3,4-D]pyrimidin-3-Yl}-N-(3-Tert-Butylphenyl)benzamide | C30H33N7O2

3-{1-[(3r)-1-Acryloylpiperidin-3-Yl]-4-Amino-1h-Pyrazolo[3,4-D]pyrimidin-3-Yl}-N-(3-Tert-Butylphenyl)benzamide

  • Molecular FormulaC30H33N7O2
  • Average mass523.629 Da
  • Monoisotopic mass523.269592 Da
  • ChemSpider ID35033558

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-{1-[(3R)-1-Acryloyl-3-piperidinyl]-4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-[3-(2-methyl-2-propanyl)phenyl]benzamid [German] [ACD/IUPAC Name]
3-{1-[(3R)-1-Acryloyl-3-piperidinyl]-4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-[3-(2-methyl-2-propanyl)phenyl]benzamide [ACD/IUPAC Name]
3-{1-[(3R)-1-Acryloyl-3-pipéridinyl]-4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-[3-(2-méthyl-2-propanyl)phényl]benzamide [French] [ACD/IUPAC Name]
3-{1-[(3r)-1-Acryloylpiperidin-3-Yl]-4-Amino-1h-Pyrazolo[3,4-D]pyrimidin-3-Yl}-N-(3-Tert-Butylphenyl)benzamide
Benzamide, 3-[4-amino-1-[(3R)-1-(1-oxo-2-propen-1-yl)-3-piperidinyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-N-[3-(1,1-dimethylethyl)phenyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 723.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.7±3.0 kJ/mol
Flash Point: 391.6±32.9 °C
Index of Refraction: 1.670
Molar Refractivity: 151.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 276.72
ACD/KOC (pH 5.5): 1929.03
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 286.37
ACD/KOC (pH 7.4): 1996.25
Polar Surface Area: 119 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 51.9±7.0 dyne/cm
Molar Volume: 405.9±7.0 cm3

Click to predict properties on the Chemicalize site


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