(S)-tert-butyl-3-((3-methyl-8-(4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)quinoxalin-2-yl)amino)pyrrolidine-1-carboxylate

HCID 89793607
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Basic information

Standard SMILES
Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1N[C@H]1CCN(C(=O)OC(C)(C)C)C1
InChIKey
WMRKCEAEBWUZOS-HNNXBMFYSA-N
Molecular formula
C25H30N6O3
Average molar mass
462.5 g/mol
Monoisotopic mass
462.23793884

Names & identifiers

Preferred name
(S)-tert-butyl-3-((3-methyl-8-(4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)quinoxalin-2-yl)amino)pyrrolidine-1-carboxylate
IUPAC
tert-butyl (3S)-3-[[3-methyl-8-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)quinoxalin-2-yl]amino]pyrrolidine-1-carboxylate

Names & synonyms

CHEMBL3948887SCHEMBL15243666WMRKCEAEBWUZOS-HNNXBMFYSA-NBDBM238422US9394297, 49(S)-tert-butyl-3-((3-methyl-8-(4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)quinoxalin-2-yl)amino)pyrrolidine-1-carboxylate

Database identifiers

PubChem CID
89793607
ChEMBL
CHEMBL3948887

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
112 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
34

Related reactions

1 records
New reaction record

Compound notes

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