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N-{3-[3-(4-fluoro-phenyl)-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-ylmethylene]-2-oxo-2,3-dihydro-1H-indol-5-yl}-2-hydroxy-acetamide

HCID 66607331
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
O=C(CO)Nc1ccc2c(c1)C(=Cc1[nH]c3c(c1-c1ccc(F)cc1)C(=O)NCC3)C(=O)N2
InChIKey
KBCUHVUQYQLOLL-UHFFFAOYSA-N
Molecular formula
C24H19FN4O4
Average molar mass
446.4 g/mol

Names & identifiers

Preferred name
N-{3-[3-(4-fluoro-phenyl)-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-ylmethylene]-2-oxo-2,3-dihydro-1H-indol-5-yl}-2-hydroxy-acetamide
IUPAC
N-[3-[[3-(4-fluorophenyl)-4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]-2-hydroxyacetamide

Names & synonyms

SCHEMBL152421KBCUHVUQYQLOLL-UHFFFAOYSA-NN-{3-[3-(4-fluoro-phenyl)-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-ylmethylene]-2-oxo-2,3-dihydro-1H-indol-5-yl}-2-hydroxy-acetamide

Database identifiers

PubChem CID
66607331

Properties

Computed structural propertiesFilling in

XLogP
1.3
Topological polar surface area
123 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
33
Formal charge
0
Complexity
827

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Related reactions

4 records
New reaction record
HRID 836208 reaction equation
HRID 836208As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 905806 reaction equation
HRID 905806As productuspto-grants-2011_09
HRID 1811273 reaction equation
HRID 1811273As productuspto-grants-2013_01
HRID 2365071 reaction equation
HRID 2365071As productuspto-grants-2014_04

Compound notes

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