ChemSpider 2D Image | {3-[4-(7H-Pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-1-[1-(1,2,3,4-tetrahydro-2-naphthalenylcarbonyl)-4-piperidinyl]-3-azetidinyl}acetonitrile | C30H32N8O

{3-[4-(7H-Pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-1-[1-(1,2,3,4-tetrahydro-2-naphthalenylcarbonyl)-4-piperidinyl]-3-azetidinyl}acetonitrile

  • Molecular FormulaC30H32N8O
  • Average mass520.628 Da
  • Monoisotopic mass520.269897 Da
  • ChemSpider ID76718437

More details:

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

{3-[4-(7H-Pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-1-[1-(1,2,3,4-tétrahydro-2-naphtalénylcarbonyl)-4-pipéridinyl]-3-azétidinyl}acétonitrile [French] [ACD/IUPAC Name]
{3-[4-(7H-Pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-1-[1-(1,2,3,4-tetrahydro-2-naphthalenylcarbonyl)-4-piperidinyl]-3-azetidinyl}acetonitrile [ACD/IUPAC Name]
{3-[4-(7H-Pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-1-[1-(1,2,3,4-tetrahydro-2-naphthalinylcarbonyl)-4-piperidinyl]-3-azetidinyl}acetonitril [German] [ACD/IUPAC Name]
3-Azetidineacetonitrile, 3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-1-[1-[(1,2,3,4-tetrahydro-2-naphthalenyl)carbonyl]-4-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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.759
Molar Refractivity: 150.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 2.43
ACD/KOC (pH 5.5): 25.14
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 52.25
ACD/KOC (pH 7.4): 541.34
Polar Surface Area: 107 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 64.9±7.0 dyne/cm
Molar Volume: 365.8±7.0 cm3

Click to predict properties on the Chemicalize site


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