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N,N-dimethyl-2-{[7-oxo-3-(2,4,6-trifluorobenzoyl)-1,7-dihydro-6H-pyrrolo[2,3-c]pyridin-6-yl]methyl}imidazo[1,2-a]pyridine-7-carboxamide

HCID 44517829
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CN(C)C(=O)c1ccn2cc(Cn3ccc4c(C(=O)c5c(F)cc(F)cc5F)c[nH]c4c3=O)nc2c1
InChIKey
FAPLTLUNTXPDDT-UHFFFAOYSA-N
Molecular formula
C25H18F3N5O3
Average molar mass
493.4 g/mol
Monoisotopic mass
493.13617394

Names & identifiers

Preferred name
N,N-dimethyl-2-{[7-oxo-3-(2,4,6-trifluorobenzoyl)-1,7-dihydro-6H-pyrrolo[2,3-c]pyridin-6-yl]methyl}imidazo[1,2-a]pyridine-7-carboxamide
IUPAC
N,N-dimethyl-2-[[7-oxo-3-(2,4,6-trifluorobenzoyl)-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]imidazo[1,2-a]pyridine-7-carboxamide

Names & synonyms

SCHEMBL1716214FAPLTLUNTXPDDT-UHFFFAOYSA-NN,N-dimethyl-2-{[7-oxo-3-(2,4,6-trifluorobenzoyl)-1,7-dihydro-6H-pyrrolo[2,3-c]pyridin-6-yl]methyl}imidazo[1,2-a]pyridine-7-carboxamide

Database identifiers

PubChem CID
44517829

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
90.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
36
Formal charge
0
Complexity
907

Related reactions

2 records
New reaction record
HRID 681676 reaction equation
HRID 681676As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 908264 reaction equation
HRID 908264As productuspto-grants-2011_09

Compound notes

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