2-(6-fluoro-1-methyl-1H-indazol-3-yl)-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((S)-1-hydroxymethyl-3-methylsulfanyl-propyl)-amide (HCID 71286012)

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Basic information

Standard SMILES: CSCC[C@@H](CO)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(F)ccc34)nc12
InChIKey: UBDUNGULRBEAJP-SFHVURJKSA-N
Molecular formula: C26H35FN6O3SSi
Average molar mass: 558.7 g/mol

Names & identifiers

Preferred name: 2-(6-fluoro-1-methyl-1H-indazol-3-yl)-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((S)-1-hydroxymethyl-3-methylsulfanyl-propyl)-amide
IUPAC: 2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

Names & synonyms

SCHEMBL14746919UBDUNGULRBEAJP-SFHVURJKSA-N2-(6-fluoro-1-methyl-1H-indazol-3-yl)-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((S)-1-hydroxymethyl-3-methylsulfanyl-propyl)-amide

Database identifiers

PubChem CID: 71286012

Properties

Computed structural properties

Topological polar surface area: 132 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 12
Heavy atoms: 38
Formal charge: 0
Complexity: 782

Related reactions

1 records

New reaction record

HRID 246191As productuspto-grants-2014_02

Compound notes

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