Basic information
- Standard SMILES
COc1cccc(Nc2nc3cccc(-c4cccc(S(C)(=O)=O)c4)n3n2)c1- InChIKey
PJNQAQRZBKKTCX-UHFFFAOYSA-N- Molecular formula
- C20H18N4O3S
- Average molar mass
- 394.4 g/mol
Names & identifiers
- Preferred name
- [5-(3-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-(3-methoxyphenyl)-amine
- IUPAC
- N-(3-methoxyphenyl)-5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
Names & synonyms
SCHEMBL2640413CHEMBL3642310BDBM99580PJNQAQRZBKKTCX-UHFFFAOYSA-NUS8501936, 79[5-(3-methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-(3-methoxyphenyl)-amine
Database identifiers
- PubChem CID
- 59612628
- ChEMBL
CHEMBL3642310
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 94 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 625
Related reactions
3 records
Compound notes
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