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5-fluoro-2'-[3-iodo-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one

HCID 67954635
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
C[Si](C)(C)CCOCn1nc(I)c2ccc(C3CC34C(=O)Nc3ccc(F)cc34)cc21
InChIKey
DFJRENRVUKVXSB-UHFFFAOYSA-N
Molecular formula
C23H25FIN3O2Si
Average molar mass
549.5 g/mol

Names & identifiers

Preferred name
5-fluoro-2'-[3-iodo-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
IUPAC
5-fluoro-2'-[3-iodo-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one

Names & synonyms

SCHEMBL9894357

Database identifiers

PubChem CID
67954635

Properties

Computed structural properties

Topological polar surface area
56.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
31
Formal charge
0
Complexity
709

Related reactions

1 records
New reaction record
HRID 2334668 reaction equation
HRID 2334668As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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