Basic information
- Standard SMILES
COc1cccc(-c2cccn3nc(Nc4ccc(C5CCN(C(=O)OC(C)(C)C)CC5)cc4)nc23)c1OC- InChIKey
LMUJITSXAFFOEX-UHFFFAOYSA-N- Molecular formula
- C30H35N5O4
- Average molar mass
- 529.6 g/mol
Names & identifiers
- Preferred name
- 4-{4-[8-(2,3-Dimethoxy-phenyl)-[1,2,4]-triazolo[1,5-a]pyridin-2-ylamino]-phenyl}-piperidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[4-[[8-(2,3-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL2634263CHEMBL3645067BDBM99835LMUJITSXAFFOEX-UHFFFAOYSA-NUS8501936, 3534-{4-[8-(2,3-Dimethoxy-phenyl)-[1,2,4]-triazolo[1,5-a]pyridin-2-ylamino]-phenyl}-piperidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 59612546
- ChEMBL
CHEMBL3645067
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 90.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 793
Related reactions
6 records
Compound notes
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