6-Fluoro-1-(3-fluorobenzyl)-2-oxo-4-[4-(thiophene-2-carbonyl)-piperazin-1-yl]-1,2-dihydro-[1,8]-naphthyridine-3-carbonitrile

HCID 59699686

Notes Reactions

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Basic information

Standard SMILES: N#Cc1c(N2CCN(C(=O)c3cccs3)CC2)c2cc(F)cnc2n(Cc2cccc(F)c2)c1=O
InChIKey: OHAYHSKBHYDRGA-UHFFFAOYSA-N
Molecular formula: C25H19F2N5O2S
Average molar mass: 491.5 g/mol

Names & identifiers

Preferred name: 6-Fluoro-1-(3-fluorobenzyl)-2-oxo-4-[4-(thiophene-2-carbonyl)-piperazin-1-yl]-1,2-dihydro-[1,8]-naphthyridine-3-carbonitrile
IUPAC: 6-fluoro-1-[(3-fluorophenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,8-naphthyridine-3-carbonitrile

Names & synonyms

SCHEMBL4856106OHAYHSKBHYDRGA-UHFFFAOYSA-N6-Fluoro-1-(3-fluorobenzyl)-2-oxo-4-[4-(thiophene-2-carbonyl)-piperazin-1-yl]-1,2-dihydro-[1,8]-naphthyridine-3-carbonitrile

Database identifiers

PubChem CID: 59699686

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 109 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 4
Heavy atoms: 35
Formal charge: 0
Complexity: 915

Related reactions

2 records

New reaction record

HRID 901281As productuspto-grants-2008_04

HRID 943202As productValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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