ChemSpider 2D Image | {(3R)-1-[2-(2-Cyclopropyl-4-pyrimidinyl)-3H-imidazo[4,5-b]pyridin-5-yl]-3-piperidinyl}(3,3-difluoro-1-azetidinyl)methanone | C22H23F2N7O

{(3R)-1-[2-(2-Cyclopropyl-4-pyrimidinyl)-3H-imidazo[4,5-b]pyridin-5-yl]-3-piperidinyl}(3,3-difluoro-1-azetidinyl)methanone

  • Molecular FormulaC22H23F2N7O
  • Average mass439.461 Da
  • Monoisotopic mass439.193207 Da
  • ChemSpider ID76805687

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

{(3R)-1-[2-(2-Cyclopropyl-4-pyrimidinyl)-3H-imidazo[4,5-b]pyridin-5-yl]-3-piperidinyl}(3,3-difluor-1-azetidinyl)methanon [German] [ACD/IUPAC Name]
{(3R)-1-[2-(2-Cyclopropyl-4-pyrimidinyl)-3H-imidazo[4,5-b]pyridin-5-yl]-3-piperidinyl}(3,3-difluoro-1-azetidinyl)methanone [ACD/IUPAC Name]
{(3R)-1-[2-(2-Cyclopropyl-4-pyrimidinyl)-3H-imidazo[4,5-b]pyridin-5-yl]-3-pipéridinyl}(3,3-difluoro-1-azétidinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [(3R)-1-[2-(2-cyclopropyl-4-pyrimidinyl)-3H-imidazo[4,5-b]pyridin-5-yl]-3-piperidinyl](3,3-difluoro-1-azetidinyl)- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.684
Molar Refractivity: 111.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.85
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 11.51
ACD/KOC (pH 5.5): 176.01
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 16.42
ACD/KOC (pH 7.4): 251.13
Polar Surface Area: 91 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 81.2±5.0 dyne/cm
Molar Volume: 294.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement