H2R

N-pyridin-3-yl-4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methyl]piperidine-1-carboxamide

Created:2020-10-27
Last modified:  2021-01-13

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Chemical Details

Formal Charge0
Atom Count56
Chiral Atom Count0
Bond Count59
Aromatic Bond Count18
2D diagram of H2R

Chemical Component Summary

NameN-pyridin-3-yl-4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methyl]piperidine-1-carboxamide
Systematic Name (OpenEye OEToolkits)~{N}-pyridin-3-yl-4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methyl]piperidine-1-carboxamide
FormulaC24 H23 F3 N4 O2
Molecular Weight456.46
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385FC(F)(F)c1ccc(Oc2cccc(CC3CCN(CC3)C(=O)Nc4cccnc4)c2)nc1
SMILESOpenEye OEToolkits2.0.7c1cc(cc(c1)Oc2ccc(cn2)C(F)(F)F)CC3CCN(CC3)C(=O)Nc4cccnc4
Canonical SMILESCACTVS3.385 FC(F)(F)c1ccc(Oc2cccc(CC3CCN(CC3)C(=O)Nc4cccnc4)c2)nc1
Canonical SMILESOpenEye OEToolkits2.0.7 c1cc(cc(c1)Oc2ccc(cn2)C(F)(F)F)CC3CCN(CC3)C(=O)Nc4cccnc4
InChIInChI1.03 InChI=1S/C24H23F3N4O2/c25-24(26,27)19-6-7-22(29-15-19)33-21-5-1-3-18(14-21)13-17-8-11-31(12-9-17)23(32)30-20-4-2-10-28-16-20/h1-7,10,14-17H,8-9,11-13H2,(H,30,32)
InChIKeyInChI1.03 NBOJHRYUGLRASX-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL1651524
PubChem 25154867
ChEMBL CHEMBL1651524
ChEBI CHEBI:95030