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

HCID 20767775
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCNC(=O)c1c(C)n(C)c2cc(Oc3ccnc4cc(-c5nccn5C)sc34)ccc12
InChIKey
XTPQJPAHSJAEAP-UHFFFAOYSA-N
Molecular formula
C25H25N5O2S
Average molar mass
459.6 g/mol

Names & identifiers

Preferred name
1,2-Dimethyl-6-[2-(1-methyl-1H-imidazol-2-yl)thieno[3,2-b]pyridin-7-yloxy]-1H-indole-3-carboxylic acid propylamide
IUPAC
1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-propylindole-3-carboxamide

Names & synonyms

SCHEMBL5240142XTPQJPAHSJAEAP-UHFFFAOYSA-N1,2-Dimethyl-6-[2-(1-methyl-1H-imidazol-2-yl)-thieno[3,2-b]pyridin-7-yloxy]-1H-indole-3-carboxylic acid propylamide1,2-Dimethyl-6-[2-(1-methyl-1H-imidazol-2-yl)thieno[3,2-b]pyridin-7-yloxy]-1H-indole-3-carboxylic acid propylamide

Database identifiers

PubChem CID
20767775

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
102 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
33
Formal charge
0
Complexity
698

Related reactions

3 records
New reaction record
HRID 985254 reaction equation
HRID 985254As productuspto-grants-2005_03
HRID 1825135 reaction equation
HRID 1825135As productuspto-grants-2006_05
HRID 2162596 reaction equation
HRID 2162596As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes