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3-(5-Fluoro-3-methyl-benzo[b]thiophen-2-yl)-2,6-dimethyl-imidazo[1,2-b]pyridazine-8-carboxylic acid methoxy-methyl-amide

HCID 86621045
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CON(C)C(=O)c1cc(C)nn2c(-c3sc4ccc(F)cc4c3C)c(C)nc12
InChIKey
SKGANSZTMFGLOJ-UHFFFAOYSA-N
Molecular formula
C20H19FN4O2S
Average molar mass
398.5 g/mol

Names & identifiers

Preferred name
3-(5-Fluoro-3-methyl-benzo[b]thiophen-2-yl)-2,6-dimethyl-imidazo[1,2-b]pyridazine-8-carboxylic acid methoxy-methyl-amide
IUPAC
3-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-N-methoxy-N,2,6-trimethylimidazo[1,2-b]pyridazine-8-carboxamide

Names & synonyms

SCHEMBL3962354SKGANSZTMFGLOJ-UHFFFAOYSA-N3-(5-Fluoro-3-methyl-benzo[b]thiophen-2-yl)-2,6-dimethyl-imidazo[1,2-b]pyridazine-8-carboxylic acid methoxy-methyl-amide

Database identifiers

PubChem CID
86621045

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
88 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
28
Formal charge
0
Complexity
599

Related reactions

3 records
New reaction record
HRID 226115 reaction equation
HRID 226115As productuspto-grants-2009_07
HRID 226116 reaction equation
HRID 226116As reactantuspto-grants-2009_07
HRID 819915 reaction equation
HRID 819915As productTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes