N-(5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-methylisoxazole-3-carboxamide

HCID 60205431
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Basic information

Standard SMILES
Cc1cc(C(=O)Nc2c[nH]c3ncc(Br)c(F)c23)no1
InChIKey
VKIUXBOATPFXSE-UHFFFAOYSA-N
Molecular formula
C12H8BrFN4O2
Average molar mass
339.12 g/mol

Names & identifiers

Preferred name
N-(5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-methylisoxazole-3-carboxamide
IUPAC
N-(5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-methyl-1,2-oxazole-3-carboxamide

Names & synonyms

SCHEMBL1468970VKIUXBOATPFXSE-UHFFFAOYSA-NN-(5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-methylisoxazole-3-carboxamide

Database identifiers

PubChem CID
60205431

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
83.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
20

Related reactions

12 records
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Linked notes

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