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
- Formal charge
- 0
- Complexity
- 935
Related reactions
3 records
Compound notes
Loading…