N-Methyl-N-(2-{2-[3-(4-methyl-piperazin-1-yl)-phenylamino]-[1,2,4]triazolo[1,5-a]pyridin-8-ylethynyl}-phenyl)-methanesulfonamide

HCID 59612631

Basic information

Standard SMILES
CN1CCN(c2cccc(Nc3nc4c(C#Cc5ccccc5N(C)S(C)(=O)=O)cccn4n3)c2)CC1
InChIKey
CGYGVRWLPAUQAP-UHFFFAOYSA-N
Molecular formula
C27H29N7O2S
Average molar mass
515.6 g/mol
Monoisotopic mass
515.21034437

Names & identifiers

Preferred name
N-Methyl-N-(2-{2-[3-(4-methyl-piperazin-1-yl)-phenylamino]-[1,2,4]triazolo[1,5-a]pyridin-8-ylethynyl}-phenyl)-methanesulfonamide
IUPAC
N-methyl-N-[2-[2-[2-[3-(4-methylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]ethynyl]phenyl]methanesulfonamide

Names & synonyms

SCHEMBL2634718CHEMBL3642413BDBM99691CGYGVRWLPAUQAP-UHFFFAOYSA-NUS8501936, 192N-Methyl-N-(2-{2-[3-(4-methyl-piperazin-1-yl)-phenylamino]-[1,2,4]triazolo[1,5-a]pyridin-8-ylethynyl}-phenyl)-methanesulfonamide

Database identifiers

PubChem CID
59612631
ChEMBL
CHEMBL3642413

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
94.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
37

Related reactions

3 records

Compound notes

Loading…