ChemSpider 2D Image | N-Cyclobutyl-4-[4-(4-methoxyoctahydro-1H-pyrazolo[3,4-b]pyridin-3-yl)-1-piperidinyl]-6-{[(2R)-1-methoxy-2-propanyl]oxy}-1,3,5-triazine-2-carboxamide | C24H40N8O4

N-Cyclobutyl-4-[4-(4-methoxyoctahydro-1H-pyrazolo[3,4-b]pyridin-3-yl)-1-piperidinyl]-6-{[(2R)-1-methoxy-2-propanyl]oxy}-1,3,5-triazine-2-carboxamide

  • Molecular FormulaC24H40N8O4
  • Average mass504.626 Da
  • Monoisotopic mass504.317261 Da
  • ChemSpider ID129039502

  • defined stereocentres - 1 of 5 defined stereocentres

More details:

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

1,3,5-Triazine-2-carboxamide, N-cyclobutyl-4-[(1R)-2-methoxy-1-methylethoxy]-6-[4-(octahydro-4-methoxy-1H-pyrazolo[3,4-b]pyridin-3-yl)-1-piperidinyl]- [ACD/Index Name]
N-Cyclobutyl-4-[4-(4-methoxyoctahydro-1H-pyrazolo[3,4-b]pyridin-3-yl)-1-piperidinyl]-6-{[(2R)-1-methoxy-2-propanyl]oxy}-1,3,5-triazin-2-carboxamid [German] [ACD/IUPAC Name]
N-Cyclobutyl-4-[4-(4-methoxyoctahydro-1H-pyrazolo[3,4-b]pyridin-3-yl)-1-piperidinyl]-6-{[(2R)-1-methoxy-2-propanyl]oxy}-1,3,5-triazine-2-carboxamide [ACD/IUPAC Name]
N-Cyclobutyl-4-[4-(4-méthoxyoctahydro-1H-pyrazolo[3,4-b]pyridin-3-yl)-1-pipéridinyl]-6-{[(2R)-1-méthoxy-2-propanyl]oxy}-1,3,5-triazine-2-carboxamide [French] [ACD/IUPAC Name]

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: 1.596
Molar Refractivity: 132.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -0.66
ACD/LogD (pH 5.5): -2.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.59
Polar Surface Area: 135 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 63.3±5.0 dyne/cm
Molar Volume: 390.6±5.0 cm3

Click to predict properties on the Chemicalize site


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