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Search term: c1cc2c(nc1)n(nn2)c3ccc(cc3)C(=O)N(c4c(cccn4)Cl)[C@@H]5CCCNC5 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | N-(3-chloropyridin-2-yl)-N-[(3R)-piperidin-3-yl]-4-{[1,2,3]triazolo[4,5-b]pyridin-3-yl}benzamide | C22H20ClN7O

N-(3-chloropyridin-2-yl)-N-[(3R)-piperidin-3-yl]-4-{[1,2,3]triazolo[4,5-b]pyridin-3-yl}benzamide

  • Molecular FormulaC22H20ClN7O
  • Average mass433.893 Da
  • Monoisotopic mass433.141785 Da
  • ChemSpider ID74849329

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1632250-49-7 [RN]
Benzamide, N-(3-chloro-2-pyridinyl)-N-[(3R)-3-piperidinyl]-4-(3H-1,2,3-triazolo[4,5-b]pyridin-3-yl)- [ACD/Index Name]
N-(3-Chlor-2-pyridinyl)-N-[(3R)-3-piperidinyl]-4-(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)benzamid [German] [ACD/IUPAC Name]
N-(3-Chloro-2-pyridinyl)-N-[(3R)-3-piperidinyl]-4-(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)benzamide [ACD/IUPAC Name]
N-(3-Chloro-2-pyridinyl)-N-[(3R)-3-pipéridinyl]-4-(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)benzamide [French] [ACD/IUPAC Name]
N-(3-chloropyridin-2-yl)-N-[(3R)-piperidin-3-yl]-4-{[1,2,3]triazolo[4,5-b]pyridin-3-yl}benzamide
N-(3-chloropyridin-2-yl)-N-[(3R)-piperidin-3-yl]-4-{3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl}benzamide
(R)-4-(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)-N-(3-chloropyridin-2-yl)-N-(piperidin-3-yl)benzamide
1632250-49-7 (free base)
1632250-50-0 [RN]
More...
  • Miscellaneous

    • Chemical Class:

      A triazolopyridine that is 3H-[1,2,3]triazolo[4,5-b]pyridine substituted by a 4-{(3-chloropyridin-2-yl)[(3R)-piperidin-3-yl]carbamoyl}phenyl group at position 3. It is a potent inhibitor of PCSK9. ChEBI CHEBI:189659

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

Density: 1.5±0.1 g/cm3
Boiling Point: 655.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.5±3.0 kJ/mol
Flash Point: 350.2±34.3 °C
Index of Refraction: 1.745
Molar Refractivity: 119.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.86
ACD/LogD (pH 5.5): -0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.96
ACD/BCF (pH 7.4): 1.53
ACD/KOC (pH 7.4): 19.90
Polar Surface Area: 89 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 62.5±7.0 dyne/cm
Molar Volume: 295.6±7.0 cm3

Click to predict properties on the Chemicalize site


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