ChemSpider 2D Image | 4-(3-Cyano-4-{2-[1-(1-methyl-L-prolyl)-4-piperidinyl]ethoxy}phenyl)-7-(tetrahydro-3-furanylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile | C32H37N7O3

4-(3-Cyano-4-{2-[1-(1-methyl-L-prolyl)-4-piperidinyl]ethoxy}phenyl)-7-(tetrahydro-3-furanylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile

  • Molecular FormulaC32H37N7O3
  • Average mass567.681 Da
  • Monoisotopic mass567.295776 Da
  • ChemSpider ID76771841

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

4-(3-Cyan-4-{2-[1-(1-methyl-L-prolyl)-4-piperidinyl]ethoxy}phenyl)-7-(tetrahydro-3-furanylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-2-carbonitril [German] [ACD/IUPAC Name]
4-(3-Cyano-4-{2-[1-(1-methyl-L-prolyl)-4-piperidinyl]ethoxy}phenyl)-7-(tetrahydro-3-furanylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile [ACD/IUPAC Name]
4-(3-Cyano-4-{2-[1-(1-méthyl-L-prolyl)-4-pipéridinyl]éthoxy}phényl)-7-(tétrahydro-3-furanylméthyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile [French] [ACD/IUPAC Name]
7H-Pyrrolo[2,3-d]pyrimidine-2-carbonitrile, 4-[3-cyano-4-[2-[1-[[(2S)-1-methyl-2-pyrrolidinyl]carbonyl]-4-piperidinyl]ethoxy]phenyl]-7-[(tetrahydro-3-furanyl)methyl]- [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: 822.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.5±3.0 kJ/mol
Flash Point: 451.0±37.1 °C
Index of Refraction: 1.686
Molar Refractivity: 160.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.51
ACD/LogD (pH 5.5): -0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 1.55
ACD/KOC (pH 7.4): 17.30
Polar Surface Area: 120 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 56.7±7.0 dyne/cm
Molar Volume: 420.4±7.0 cm3

Click to predict properties on the Chemicalize site


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