ChemSpider 2D Image | 2-{1-[trans-4-(Cyanomethyl)cyclohexyl]-1,5-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl}-N-(2-hydroxy-2-methylpropyl)acetamide | C22H28N6O2

2-{1-[trans-4-(Cyanomethyl)cyclohexyl]-1,5-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl}-N-(2-hydroxy-2-methylpropyl)acetamide

  • Molecular FormulaC22H28N6O2
  • Average mass408.497 Da
  • Monoisotopic mass408.227386 Da
  • ChemSpider ID88297963
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

2-{1-[trans-4-(Cyanmethyl)cyclohexyl]-1,5-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl}-N-(2-hydroxy-2-methylpropyl)acetamid [German] [ACD/IUPAC Name]
2-{1-[trans-4-(Cyanomethyl)cyclohexyl]-1,5-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl}-N-(2-hydroxy-2-methylpropyl)acetamide [ACD/IUPAC Name]
2-{1-[trans-4-(Cyanométhyl)cyclohexyl]-1,5-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl}-N-(2-hydroxy-2-méthylpropyl)acétamide [French] [ACD/IUPAC Name]
Imidazo[4,5-d]pyrrolo[2,3-b]pyridine-2-acetamide, 1-[trans-4-(cyanomethyl)cyclohexyl]-1,5-dihydro-N-(2-hydroxy-2-methylpropyl)- [ACD/Index Name]
2230282-02-5 [RN]
Lorpucitinibum

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.691
Molar Refractivity: 113.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.82
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 113 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 57.0±7.0 dyne/cm
Molar Volume: 297.1±7.0 cm3

Click to predict properties on the Chemicalize site






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