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

HCID 59612546

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

Related reactions

6 records

Compound notes

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