6-(4-(2-(1-(2-dimethylamino-2-oxoethyl)piperidin-4-yl)ethoxy)-3-(trifluoromethyl)phenyl)-1-methyl-1H-[1,2,3]triazolo[4,5-c]pyridine-4-carbonitrile (HCID 53259028)

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Basic information

Standard SMILES: CN(C)C(=O)CN1CCC(CCOc2ccc(-c3cc4c(nnn4C)c(C#N)n3)cc2C(F)(F)F)CC1
InChIKey: PDYACZOXYJHNLY-UHFFFAOYSA-N
Molecular formula: C25H28F3N7O2
Average molar mass: 515.5 g/mol
Monoisotopic mass: 515.22565765

Names & identifiers

Preferred name: 6-(4-(2-(1-(2-dimethylamino-2-oxoethyl)piperidin-4-yl)ethoxy)-3-(trifluoromethyl)phenyl)-1-methyl-1H-[1,2,3]triazolo[4,5-c]pyridine-4-carbonitrile
IUPAC: 2-[4-[2-[4-(4-cyano-1-methyltriazolo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]piperidin-1-yl]-N,N-dimethylacetamide

Names & synonyms

6-(4-(2-(1-(2-dimethylamino-2-oxoethyl)piperidin-4-yl)ethoxy)-3-(trifluoromethyl)phenyl)-1-methyl-1H-[1,2,3]triazolo[4,5-c]pyridine-4-carbonitrileSCHEMBL2146726CHEMBL3669129US9115126, Example 2aBDBM175205

Database identifiers

PubChem CID: 53259028
ChEMBL: CHEMBL3669129

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 100 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 10
Rotatable bonds: 7
Heavy atoms: 37
Formal charge: 0
Complexity: 827

Related reactions

1 records

New reaction record

HRID 517941As productuspto-grants-2015_08

Compound notes

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