N-Methyl-N-{2-[2-(2-methyl-2,3-dihydro-1H-isoindol-5-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-ylethynyl]-phenyl}-methanesulfonamide

HCID 59612615
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CN1Cc2ccc(Nc3nc4c(C#Cc5ccccc5N(C)S(C)(=O)=O)cccn4n3)cc2C1
InChIKey
OIQWNBPAGXKIBY-UHFFFAOYSA-N
Molecular formula
C25H24N6O2S
Average molar mass
472.6 g/mol

Names & identifiers

Preferred name
N-Methyl-N-{2-[2-(2-methyl-2,3-dihydro-1H-isoindol-5-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-ylethynyl]-phenyl}-methanesulfonamide
IUPAC
N-methyl-N-[2-[2-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]ethynyl]phenyl]methanesulfonamide

Names & synonyms

SCHEMBL2640638CHEMBL3642414BDBM99692OIQWNBPAGXKIBY-UHFFFAOYSA-NUS8501936, 193N-Methyl-N-{2-[2-(2-methyl-2,3-dihydro-1H-isoindol-5-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-ylethynyl]-phenyl}-methanesulfonamide

Database identifiers

PubChem CID
59612615
ChEMBL
CHEMBL3642414

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
91.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
34

Related reactions

3 records
New reaction record

Compound notes

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N-Methyl-N-{2-[2-(2-methyl-2,3-dihydro-1H-isoindol-5-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-ylethynyl]-phenyl}-methanesulfonamide (HCID 59612615)｜Huagongshe