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tert-butyl 3-(cyanomethyl)-3-[4-(5-fluoro-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-1-yl]azetidine-1-carboxylate

HCID 67390274
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CC(CC#N)(n2cc(-c3c(F)cnc4c3ccn4COCC[Si](C)(C)C)cn2)C1
InChIKey
XHUSVPHGRQBJEV-UHFFFAOYSA-N
Molecular formula
C26H35FN6O3Si
Average molar mass
526.7 g/mol

Names & identifiers

Preferred name
tert-butyl 3-(cyanomethyl)-3-[4-(5-fluoro-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-1-yl]azetidine-1-carboxylate
IUPAC
tert-butyl 3-(cyanomethyl)-3-[4-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrazol-1-yl]azetidine-1-carboxylate

Names & synonyms

SCHEMBL2392354SCHEMBL30986011XHUSVPHGRQBJEV-UHFFFAOYSA-Ntert-butyl 3-(cyanomethyl)-3-[4-(5-fluoro-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-1-yl]azetidine-1-carboxylate

Database identifiers

PubChem CID
67390274

Properties

Computed structural properties

Topological polar surface area
98.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
10
Heavy atoms
37
Formal charge
0
Complexity
865

Related reactions

2 records
New reaction record
HRID 1617374 reaction equation
HRID 1617374As productuspto-grants-2014_07
HRID 1617375 reaction equation
HRID 1617375As reactantuspto-grants-2014_07

Compound notes

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