5-Fluoro-N,N-dimethyl-7-(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-carboxamide

HCID 59636734

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CN(C)C(=O)c1cc2cc(F)cc(N3CCN(CCc4ccccn4)CC3)c2o1
InChIKey: LKUIEJVJQNPDKO-UHFFFAOYSA-N
Molecular formula: C22H25FN4O2
Average molar mass: 396.5 g/mol

Names & identifiers

Preferred name: 5-Fluoro-N,N-dimethyl-7-(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-carboxamide
IUPAC: 5-fluoro-N,N-dimethyl-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide

Names & synonyms

SCHEMBL931922CHEMBL3650043LKUIEJVJQNPDKO-UHFFFAOYSA-NBDBM136364US8859534, 505-Fluoro-N,N-dimethyl-7-(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-carboxamide

Database identifiers

PubChem CID: 59636734
ChEMBL: CHEMBL3650043

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 52.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 29
Formal charge: 0
Complexity: 555

Related reactions

3 records

New reaction record

HRID 284783As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 383845As productuspto-grants-2013_02

HRID 535673As productuspto-grants-2014_10

Compound notes

Loading…