2-(5-difluoromethoxy-1-piperidin-4-yl-1H-indazol-3-yl)-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid tert-butylamide hydrochloride (HCID 71279837)

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Basic information

Standard SMILES: CC(C)(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C4CCNCC4)c4ccc(OC(F)F)cc34)nc12.Cl
InChIKey: UFKFFOQASRENRI-UHFFFAOYSA-N
Molecular formula: C30H42ClF2N7O3Si
Average molar mass: 650.2 g/mol
Monoisotopic mass: 649.2774988

Names & identifiers

Preferred name: 2-(5-difluoromethoxy-1-piperidin-4-yl-1H-indazol-3-yl)-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid tert-butylamide hydrochloride
IUPAC: N-tert-butyl-2-[5-(difluoromethoxy)-1-piperidin-4-ylindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;hydrochloride

Names & synonyms

2-(5-difluoromethoxy-1-piperidin-4-yl-1H-indazol-3-yl)-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid tert-butylamide hydrochlorideSCHEMBL14737615

Database identifiers

PubChem CID: 71279837

Properties

Computed structural properties

Topological polar surface area: 108 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 9
Rotatable bonds: 11
Heavy atoms: 44
Formal charge: 0
Complexity: 932

Related reactions

2 records

New reaction record

HRID 246303As productuspto-grants-2014_02

HRID 246304As reactantuspto-grants-2014_02

Compound notes

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