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N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N,1-dimethylpyrrolidine-2-carboxamide

HCID 46842671
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CN(CCOc1ccc(-c2cc3c(ncn3C)c(C#N)n2)cc1C(F)(F)F)C(=O)C1CCCN1C
InChIKey
NZHYQUXRPHBFKR-UHFFFAOYSA-N
Molecular formula
C24H25F3N6O2
Average molar mass
486.5 g/mol
Monoisotopic mass
486.19910855

Names & identifiers

Preferred name
N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N,1-dimethylpyrrolidine-2-carboxamide
IUPAC
N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N,1-dimethylpyrrolidine-2-carboxamide

Names & synonyms

SCHEMBL2385035NZHYQUXRPHBFKR-UHFFFAOYSA-NN-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N,1-dimethylpyrrolidine-2-carboxamide

Database identifiers

PubChem CID
46842671

Properties

Computed structural propertiesFilling in

XLogP
3
Topological polar surface area
87.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
6
Heavy atoms
35
Formal charge
0
Complexity
804

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Related reactions

1 records
New reaction record
HRID 695475 reaction equation
HRID 695475As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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