7-[4-(4-Indan-4-yl-piperazin-1-yl)-butoxy]-5-trifluoromethyl-3,4-dihydro-1H-[1,8]naphthyridin-2-one

HCID 21073802
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Basic information

Standard SMILES
O=C1CCc2c(C(F)(F)F)cc(OCCCCN3CCN(c4cccc5c4CCC5)CC3)nc2N1
InChIKey
VUBUZHIIKCQCJT-UHFFFAOYSA-N
Molecular formula
C26H31F3N4O2
Average molar mass
488.5 g/mol
Monoisotopic mass
488.23991073

Names & identifiers

Preferred name
7-[4-(4-Indan-4-yl-piperazin-1-yl)-butoxy]-5-trifluoromethyl-3,4-dihydro-1H-[1,8]naphthyridin-2-one
IUPAC
7-[4-[4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl]butoxy]-5-(trifluoromethyl)-3,4-dihydro-1H-1,8-naphthyridin-2-one

Names & synonyms

7-[4-(4-Indan-4-yl-piperazin-1-yl)-butoxy]-5-trifluoromethyl-3,4-dihydro-1H-[1,8]naphthyridin-2-oneSCHEMBL5379445

Database identifiers

PubChem CID
21073802

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
57.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
35

Related reactions

2 records
New reaction record

Compound notes

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