2-(3,5-Bis-trifluoromethyl-phenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid [(R)-1-(4-cyano-piperidine-1-carbonyl)-2,2-dimethyl-propyl]-amide

HCID 53386152
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Basic information

Standard SMILES
CC(C)(C)[C@@H](NC(=O)c1c[nH]c2ncc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc12)C(=O)N1CCC(C#N)CC1
InChIKey
PFALAGRMOXFHKT-NRFANRHFSA-N
Molecular formula
C27H26F6N6O2
Average molar mass
580.5 g/mol
Monoisotopic mass
580.20214307

Names & identifiers

Preferred name
2-(3,5-Bis-trifluoromethyl-phenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid [(R)-1-(4-cyano-piperidine-1-carbonyl)-2,2-dimethyl-propyl]-amide
IUPAC
2-[3,5-bis(trifluoromethyl)phenyl]-N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

Names & synonyms

2-(3,5-Bis-trifluoromethyl-phenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid [(R)-1-(4-cyano-piperidine-1-carbonyl)-2,2-dimethyl-propyl]-amideSCHEMBL2379270

Database identifiers

PubChem CID
53386152

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
115 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
11
Rotatable bonds
5
Heavy atoms
41

Related reactions

1 records
New reaction record

Compound notes

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