ChemSpider 2D Image | 3-{4-Amino-1-[(3R)-1-propionyl-3-piperidinyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-(4-isopropylphenyl)benzamide | C29H33N7O2

3-{4-Amino-1-[(3R)-1-propionyl-3-piperidinyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-(4-isopropylphenyl)benzamide

  • Molecular FormulaC29H33N7O2
  • Average mass511.618 Da
  • Monoisotopic mass511.269562 Da
  • ChemSpider ID35033533
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

3-{4-Amino-1-[(3r)-1-Propanoylpiperidin-3-Yl]-1h-Pyrazolo[3,4-D]pyrimidin-3-Yl}-N-[4-(Propan-2-Yl)phenyl]benzamide
3-{4-Amino-1-[(3R)-1-propionyl-3-piperidinyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-(4-isopropylphenyl)benzamid [German] [ACD/IUPAC Name]
3-{4-Amino-1-[(3R)-1-propionyl-3-piperidinyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-(4-isopropylphenyl)benzamide [ACD/IUPAC Name]
3-{4-Amino-1-[(3R)-1-propionyl-3-pipéridinyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-(4-isopropylphényl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 3-[4-amino-1-[(3R)-1-(1-oxopropyl)-3-piperidinyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-N-[4-(1-methylethyl)phenyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 709.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 383.1±32.9 °C
Index of Refraction: 1.686
Molar Refractivity: 146.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 238.13
ACD/KOC (pH 5.5): 1732.37
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 246.43
ACD/KOC (pH 7.4): 1792.76
Polar Surface Area: 119 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 53.7±7.0 dyne/cm
Molar Volume: 385.3±7.0 cm3

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