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2-Ethyl-1-methyl-6-[2-(1-methyl-1H-imidazol-2-yl)-thieno[3,2-b]pyridin-7-yloxy]-1H-indole-3-carboxylic acid methylamide

HCID 20767796
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCc1c(C(=O)NC)c2ccc(Oc3ccnc4cc(-c5nccn5C)sc34)cc2n1C
InChIKey
HROXIYGKBAAAOG-UHFFFAOYSA-N
Molecular formula
C24H23N5O2S
Average molar mass
445.5 g/mol

Names & identifiers

Preferred name
2-Ethyl-1-methyl-6-[2-(1-methyl-1H-imidazol-2-yl)-thieno[3,2-b]pyridin-7-yloxy]-1H-indole-3-carboxylic acid methylamide
IUPAC
2-ethyl-N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide

Names & synonyms

SCHEMBL5244416HROXIYGKBAAAOG-UHFFFAOYSA-N2-Ethyl-1-methyl-6-[2-(1-methyl-1H-imidazol-2-yl)-thieno[3,2-b]pyridin-7-yloxy]-1H-indole-3-carboxylic acid methylamide

Database identifiers

PubChem CID
20767796

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
102 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
32
Formal charge
0
Complexity
683

Related reactions

3 records
New reaction record
HRID 176200 reaction equation
HRID 176200As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 985281 reaction equation
HRID 985281As productuspto-grants-2005_03
HRID 1825163 reaction equation
HRID 1825163As productuspto-grants-2006_05

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes