4-{3-[8-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-ylamino]-phenyl}-piperazine-1-carboxylic acid tert-butyl ester

HCID 59612415

Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCN(c2cccc(Nc3nc4c(-c5ccc(S(C)(=O)=O)cc5)cccn4n3)c2)CC1
InChIKey
UHBIUCJTDPEIOX-UHFFFAOYSA-N
Molecular formula
C28H32N6O4S
Average molar mass
548.7 g/mol

Names & identifiers

Preferred name
4-{3-[8-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-ylamino]-phenyl}-piperazine-1-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 4-[3-[[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]piperazine-1-carboxylate

Names & synonyms

SCHEMBL2635183CHEMBL3642400BDBM99678UHBIUCJTDPEIOX-UHFFFAOYSA-NUS8501936, 1794-{3-[8-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-ylamino]-phenyl}-piperazine-1-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
59612415
ChEMBL
CHEMBL3642400

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
118 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
39

Related reactions

6 records

Compound notes

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