ChemSpider 2D Image | (6S)-6-Cyclopentyl-6-[2-(2,6-diethyl-4-pyridinyl)ethyl]-3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-5,6-dihydro-2H-pyran-2-one | C29H37N5O3

(6S)-6-Cyclopentyl-6-[2-(2,6-diethyl-4-pyridinyl)ethyl]-3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-5,6-dihydro-2H-pyran-2-one

  • Molecular FormulaC29H37N5O3
  • Average mass503.636 Da
  • Monoisotopic mass503.289642 Da
  • ChemSpider ID23333840

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6S)-6-Cyclopentyl-6-[2-(2,6-diethyl-4-pyridinyl)ethyl]-3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-5,6-dihydro-2H-pyran-2-on [German] [ACD/IUPAC Name]
(6S)-6-Cyclopentyl-6-[2-(2,6-diethyl-4-pyridinyl)ethyl]-3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-5,6-dihydro-2H-pyran-2-one [ACD/IUPAC Name]
(6S)-6-Cyclopentyl-6-[2-(2,6-diéthyl-4-pyridinyl)éthyl]-3-[(5,7-diméthyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)méthyl]-4-hydroxy-5,6-dihydro-2H-pyran-2-one [French] [ACD/IUPAC Name]
(6S)-6-Cyclopentyl-6-[2-(2,6-diethyl-4-pyridinyl)ethyl]-3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-5,6-dihydro-4-hydroxy-2H-pyran-2-one
2H-Pyran-2-one, 6-cyclopentyl-6-[2-(2,6-diethyl-4-pyridinyl)ethyl]-3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-5,6-dihydro-4-hydroxy-, (6S)- [ACD/Index Name]
877130-29-5 [RN]
(6S)-6-cyclopentyl-6-[2-(2,6-diethylpyridin-4-yl)ethyl]-3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-5,6-dihydro-2H-pyran-2-one
(S)-6-cyclopentyl-6-[2-(2,6-diethylpyridin-4-yl)ethyl]-3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-5,6-dihydro-2Hpyran-2-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL489295/

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.654
Molar Refractivity: 142.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.13
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 9.56
ACD/KOC (pH 5.5): 38.91
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 4.11
ACD/KOC (pH 7.4): 16.73
Polar Surface Area: 103 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 49.0±7.0 dyne/cm
Molar Volume: 388.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement