2-(4,4-Difluoro-piperidine-1-carbonyl)-5-hydroxy-pyrrolo[2,3-b]pyridine-1-carboxylic Acid tert-butyl Ester

HCID 68423977
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Basic information

Standard SMILES
CC(C)(C)OC(=O)n1c(C(=O)N2CCC(F)(F)CC2)cc2cc(O)cnc21
InChIKey
DYZUWWUCRLEGME-UHFFFAOYSA-N
Molecular formula
C18H21F2N3O4
Average molar mass
381.4 g/mol

Names & identifiers

Preferred name
2-(4,4-Difluoro-piperidine-1-carbonyl)-5-hydroxy-pyrrolo[2,3-b]pyridine-1-carboxylic Acid tert-butyl Ester
IUPAC
tert-butyl 2-(4,4-difluoropiperidine-1-carbonyl)-5-hydroxypyrrolo[2,3-b]pyridine-1-carboxylate

Names & synonyms

2-(4,4-Difluoro-piperidine-1-carbonyl)-5-hydroxy-pyrrolo[2,3-b]pyridine-1-carboxylic Acid tert-butyl EsterSCHEMBL2874279

Database identifiers

PubChem CID
68423977

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
84.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
3
Heavy atoms
27

Related reactions

4 records
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Compound notes

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