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Search term: KFYRXHYWURCCBT-CQSZACIVSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-{(3R)-3-[4-Amino-3-(1-methyl-1H-indol-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl}-2-propen-1-one | C22H23N7O

1-{(3R)-3-[4-Amino-3-(1-methyl-1H-indol-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl}-2-propen-1-one

  • Molecular FormulaC22H23N7O
  • Average mass401.464 Da
  • Monoisotopic mass401.196411 Da
  • ChemSpider ID59052993

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-{(3R)-3-[4-Amino-3-(1-methyl-1H-indol-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl}-2-propen-1-on [German] [ACD/IUPAC Name]
1-{(3R)-3-[4-Amino-3-(1-methyl-1H-indol-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl}-2-propen-1-one [ACD/IUPAC Name]
1-{(3R)-3-[4-Amino-3-(1-méthyl-1H-indol-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-pipéridinyl}-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-[(3R)-3-[4-amino-3-(1-methyl-1H-indol-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 740.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 401.6±32.9 °C
Index of Refraction: 1.745
Molar Refractivity: 114.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.55
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 17.05
ACD/KOC (pH 5.5): 258.21
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 18.67
ACD/KOC (pH 7.4): 282.72
Polar Surface Area: 95 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 60.7±7.0 dyne/cm
Molar Volume: 282.8±7.0 cm3

Click to predict properties on the Chemicalize site


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