N-(1-(3-Chloropyridin-2-yl)piperidin-4-yl)-7-(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-carboxamide

HCID 59636728

Basic information

Standard SMILES
O=C(NC1CCN(c2ncccc2Cl)CC1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
InChIKey
SBXVIUHANNPIPC-UHFFFAOYSA-N
Molecular formula
C30H33ClN6O2
Average molar mass
545.1 g/mol
Monoisotopic mass
544.235352

Names & identifiers

Preferred name
N-(1-(3-Chloropyridin-2-yl)piperidin-4-yl)-7-(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-carboxamide
IUPAC
N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide

Names & synonyms

SCHEMBL3790615CHEMBL3647266SBXVIUHANNPIPC-UHFFFAOYSA-NBDBM136322US8859534, 8N-(1-(3-Chloropyridin-2-yl)piperidin-4-yl)-7-(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-carboxamide

Database identifiers

PubChem CID
59636728
ChEMBL
CHEMBL3647266

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
77.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
39

Related reactions

3 records

Compound notes

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