ChemSpider 2D Image | 4-[4-({[2-Amino-5-(1-methyl-1H-imidazol-4-yl)-3-pyridinyl]oxy}methyl)-1-piperidinyl]-N-(bicyclo[1.1.1]pent-1-yl)-6-{[(1S,2R)-2-cyanocyclopropyl]methoxy}-1,3,5-triazine-2-carboxamide | C29H34N10O3

4-[4-({[2-Amino-5-(1-methyl-1H-imidazol-4-yl)-3-pyridinyl]oxy}methyl)-1-piperidinyl]-N-(bicyclo[1.1.1]pent-1-yl)-6-{[(1S,2R)-2-cyanocyclopropyl]methoxy}-1,3,5-triazine-2-carboxamide

  • Molecular FormulaC29H34N10O3
  • Average mass570.646 Da
  • Monoisotopic mass570.281555 Da
  • ChemSpider ID129010467

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

1,3,5-Triazine-2-carboxamide, 4-[4-[[[2-amino-5-(1-methyl-1H-imidazol-4-yl)-3-pyridinyl]oxy]methyl]-1-piperidinyl]-N-bicyclo[1.1.1]pent-1-yl-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]- [ACD/Index Name]
4-[4-({[2-Amino-5-(1-methyl-1H-imidazol-4-yl)-3-pyridinyl]oxy}methyl)-1-piperidinyl]-N-(bicyclo[1.1.1]pent-1-yl)-6-{[(1S,2R)-2-cyancyclopropyl]methoxy}-1,3,5-triazin-2-carboxamid [German] [ACD/IUPAC Name]
4-[4-({[2-Amino-5-(1-methyl-1H-imidazol-4-yl)-3-pyridinyl]oxy}methyl)-1-piperidinyl]-N-(bicyclo[1.1.1]pent-1-yl)-6-{[(1S,2R)-2-cyanocyclopropyl]methoxy}-1,3,5-triazine-2-carboxamide [ACD/IUPAC Name]
4-[4-({[2-Amino-5-(1-méthyl-1H-imidazol-4-yl)-3-pyridinyl]oxy}méthyl)-1-pipéridinyl]-N-(bicyclo[1.1.1]pent-1-yl)-6-{[(1S,2R)-2-cyanocyclopropyl]méthoxy}-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: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.798
Molar Refractivity: 152.4±0.5 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 0.61
ACD/LogD (pH 5.5): -0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.30
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 3.58
ACD/KOC (pH 7.4): 81.47
Polar Surface Area: 170 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 72.8±7.0 dyne/cm
Molar Volume: 357.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement