Basic information
- Standard SMILES
CS(=O)(=O)c1ccc(-c2cccn3nc(Nc4cccc(N5CCN(CC(N)=O)CC5)c4)nc23)cc1- InChIKey
WCLOWWVLZUYBIT-UHFFFAOYSA-N- Molecular formula
- C25H27N7O3S
- Average molar mass
- 505.6 g/mol
Names & identifiers
- Preferred name
- 2-(4-{3-[8-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-ylamino]-phenyl}-piperazin-1-yl)-acetamide
- IUPAC
- 2-[4-[3-[[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]piperazin-1-yl]acetamide
Names & synonyms
SCHEMBL2634221CHEMBL3642404BDBM99682WCLOWWVLZUYBIT-UHFFFAOYSA-NUS8501936, 1832-(4-{3-[8-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-ylamino]-phenyl}-piperazin-1-yl)-acetamide
Database identifiers
- PubChem CID
- 59612370
- ChEMBL
CHEMBL3642404
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 852
Related reactions
3 records
Compound notes
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