Basic information
- Standard SMILES
CN1CCN(c2cccc(Nc3nc4c(NCc5ccccc5N(C)S(C)(=O)=O)cccn4n3)c2)CC1- InChIKey
DDQHOFUNXAOJKD-UHFFFAOYSA-N- Molecular formula
- C26H32N8O2S
- Average molar mass
- 520.7 g/mol
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-ylamino}-methyl)-phenyl]-methanesulfonamide
- IUPAC
- N-methyl-N-[2-[[[2-[3-(4-methylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]methyl]phenyl]methanesulfonamide
Names & synonyms
SCHEMBL2635441CHEMBL3642371BDBM99647DDQHOFUNXAOJKD-UHFFFAOYSA-NUS8501936, 148N-Methyl-N-[2-({2-[3-(4-methyl-piperazin-1-yl)-phenylamino]-[1,2,4]triazolo[1,5-a]pyridin-8-ylamino}-methyl)-phenyl]-methanesulfonamide
Database identifiers
- PubChem CID
- 59612348
- ChEMBL
CHEMBL3642371
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 833
Related reactions
3 records
Compound notes
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