1-Piperazinecarboxylic acid, 4-[1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-, 1,1-dimethylethyl ester

HCID 59259331

Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCN(c2cn(S(=O)(=O)c3ccccc3)c3ncccc23)CC1
InChIKey
HIYKHLLLVOSDQH-UHFFFAOYSA-N
Molecular formula
C22H26N4O4S
Average molar mass
442.5 g/mol
Monoisotopic mass
442.1674765

Names & identifiers

Preferred name
1-Piperazinecarboxylic acid, 4-[1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-, 1,1-dimethylethyl ester
IUPAC
tert-butyl 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]piperazine-1-carboxylate

Names & synonyms

947498-94-41-Piperazinecarboxylic acid, 4-[1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-, 1,1-dimethylethyl estertert-butyl 4-(1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)piperazine-1-carboxylateSCHEMBL3337630HIYKHLLLVOSDQH-UHFFFAOYSA-N1-Piperazinecarboxylic acid,4-[1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-,1,1-dimethylethyl esterDB-405251

Database identifiers

PubChem CID
59259331

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
93.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
31

Related reactions

4 records

Compound notes

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