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3-{[6-(acetylamino)pyridin-3-yl]ethynyl}-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trimethylsilyl)phenyl}benzamide

HCID 57775221
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC(=O)Nc1ccc(C#Cc2cc(C(=O)Nc3ccc(CN4CCN(C)CC4)c([Si](C)(C)C)c3)ccc2C)cn1
InChIKey
HSYRDSMPGYXWJG-UHFFFAOYSA-N
Molecular formula
C32H39N5O2Si
Average molar mass
553.8 g/mol

Names & identifiers

Preferred name
3-{[6-(acetylamino)pyridin-3-yl]ethynyl}-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trimethylsilyl)phenyl}benzamide
IUPAC
3-[2-(6-acetamido-3-pyridinyl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-trimethylsilylphenyl]benzamide

Names & synonyms

SCHEMBL4106809HSYRDSMPGYXWJG-UHFFFAOYSA-N3-{[6-(acetylamino)pyridin-3-yl]ethynyl}-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trimethylsilyl)phenyl}benzamide

Database identifiers

PubChem CID
57775221

Properties

Computed structural propertiesFilling in

Topological polar surface area
77.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
40
Formal charge
0
Complexity
931

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Related reactions

4 records
New reaction record
HRID 954106 reaction equation
HRID 954106As productValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1255961 reaction equation
HRID 1255961As productuspto-grants-2013_06
HRID 1527889 reaction equation
HRID 1527889As productuspto-grants-2015_07
HRID 1527896 reaction equation
HRID 1527896As productuspto-grants-2015_07

Compound notes

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