ChemSpider 2D Image | [4-({1-[(1R,3s,5S)-Bicyclo[3.1.0]hex-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-1-methyl-1H-pyrrol-2-yl][(2S)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]methanone | C26H34N8O

[4-({1-[(1R,3s,5S)-Bicyclo[3.1.0]hex-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-1-methyl-1H-pyrrol-2-yl][(2S)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]methanone

  • Molecular FormulaC26H34N8O
  • Average mass474.601 Da
  • Monoisotopic mass474.285553 Da
  • ChemSpider ID28503041

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[4-({1-[(1R,3s,5S)-Bicyclo[3.1.0]hex-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-1-methyl-1H-pyrrol-2-yl][(2S)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]methanon [German] [ACD/IUPAC Name]
[4-({1-[(1R,3s,5S)-Bicyclo[3.1.0]hex-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-1-methyl-1H-pyrrol-2-yl][(2S)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]methanone [ACD/IUPAC Name]
[4-({1-[(1R,3s,5S)-Bicyclo[3.1.0]hex-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-1-méthyl-1H-pyrrol-2-yl][(2S)-2-(1-pyrrolidinylméthyl)-1-pyrrolidinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [4-[[1-[(1R,5S)-bicyclo[3.1.0]hex-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-1-methyl-1H-pyrrol-2-yl][(2S)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]- [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: 706.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 380.8±35.7 °C
Index of Refraction: 1.808
Molar Refractivity: 133.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.61
ACD/LogD (pH 5.5): -1.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.60
Polar Surface Area: 84 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 67.9±7.0 dyne/cm
Molar Volume: 309.5±7.0 cm3

Click to predict properties on the Chemicalize site


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