ChemSpider 2D Image | {1-(Cyclopropylsulfonyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-3-azetidinyl}acetonitrile | C17H17N7O2S

{1-(Cyclopropylsulfonyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-3-azetidinyl}acetonitrile

  • Molecular FormulaC17H17N7O2S
  • Average mass383.428 Da
  • Monoisotopic mass383.116455 Da
  • ChemSpider ID115006748

More details:

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

{1-(Cyclopropylsulfonyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-3-azetidinyl}acetonitril [German] [ACD/IUPAC Name]
{1-(Cyclopropylsulfonyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-3-azetidinyl}acetonitrile [ACD/IUPAC Name]
{1-(Cyclopropylsulfonyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-3-azétidinyl}acétonitrile [French] [ACD/IUPAC Name]
3-Azetidineacetonitrile, 1-(cyclopropylsulfonyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]- [ACD/Index Name]
1187594-14-4 [RN]
2-[1-cyclopropylsulfonyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile
Ilunocitinib

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.842
Molar Refractivity: 100.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.23
ACD/LogD (pH 5.5): 0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 25.77
ACD/LogD (pH 7.4): 0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 26.19
Polar Surface Area: 129 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 84.8±7.0 dyne/cm
Molar Volume: 226.5±7.0 cm3

Click to predict properties on the Chemicalize site


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