N-[1-(2,3-Difluorobenzyl)-5-oxo-4-(2,2,2-trifluoroethyl)-1,4-diazepan-6-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

HCID 22293161

Basic information

Standard SMILES
O=C(NC1CN(Cc2cccc(F)c2F)CCN(CC(F)(F)F)C1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1
InChIKey
VQDKOBKDKUYXIS-UHFFFAOYSA-N
Molecular formula
C26H28F5N7O3
Average molar mass
581.5 g/mol

Names & identifiers

Preferred name
N-[1-(2,3-Difluorobenzyl)-5-oxo-4-(2,2,2-trifluoroethyl)-1,4-diazepan-6-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
IUPAC
N-[1-[(2,3-difluorophenyl)methyl]-5-oxo-4-(2,2,2-trifluoroethyl)-1,4-diazepan-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

Names & synonyms

N-[1-(2,3-Difluorobenzyl)-5-oxo-4-(2,2,2-trifluoroethyl)-1,4-diazepan-6-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamideSCHEMBL1197378N-[1-(2,3-Difluorobenzyl)-5-oxo-4-(2,2,2-trifluoroethyl)-1,4-diazepan-6-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4.5-b]pyridin-1-yl)piperidine-1-carboxamide

Database identifiers

PubChem CID
22293161

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
101 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
10
Rotatable bonds
5
Heavy atoms
41

Related reactions

8 records

Compound notes

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