(4-{6-Bromo-7-[4-(thiazol-2-ylcarbamoylmethyl)-piperazin-1-yl]-3H-imidazo[4,5-b]pyridin-2-yl}-benzyl)-carbamic acid tert-butyl ester

HCID 178453035
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Basic information

Standard SMILES
CC(C)(C)OC(=O)NCc1ccc(-c2nc3c(N4CCN(CC(=O)Nc5nccs5)CC4)c(Br)cnc3[nH]2)cc1
InChIKey
OGGDUTGJKDKKHK-UHFFFAOYSA-N
Molecular formula
C27H31BrN8O3S
Average molar mass
627.6 g/mol
Monoisotopic mass
626.14232

Names & identifiers

Preferred name
(4-{6-Bromo-7-[4-(thiazol-2-ylcarbamoylmethyl)-piperazin-1-yl]-3H-imidazo[4,5-b]pyridin-2-yl}-benzyl)-carbamic acid tert-butyl ester
IUPAC
tert-butyl N-[[4-[6-bromo-7-[4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]carbamate

Names & synonyms

SCHEMBL207786OGGDUTGJKDKKHK-UHFFFAOYSA-N(4-{6-Bromo-7-[4-(thiazol-2-ylcarbamoylmethyl)-piperazin-1-yl]-3H-imidazo[4,5-b]pyridin-2-yl}-benzyl)-carbamic acid tert-butyl ester

Database identifiers

PubChem CID
46867946

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
157 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
9
Rotatable bonds
9
Heavy atoms
40

Related reactions

3 records
New reaction record

Compound notes

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