Pde10-IN-5

HCID 11554381
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Basic information

Standard SMILES
FC(F)(F)Cn1ncc(-c2ccncc2)c1-c1ccc(OCc2ccc3ccccc3n2)cc1
InChIKey
KOQAWTNMUMMWMO-UHFFFAOYSA-N
Molecular formula
C26H19F3N4O
Average molar mass
460.4 g/mol

Names & identifiers

Preferred name
Pde10-IN-5
IUPAC
2-[[4-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]phenoxy]methyl]quinoline

Names & synonyms

PDE10-IN-5898562-99-72-{4-[-Pyridin4-yl-2-(2,2,2-trifluoro-ethyl)-2H-pyrazol-3-yl]-phenoxymethyl}-quinolineorb1687142SCHEMBL3269481SCHEMBL30123016HY-14550ADA-76663MS-28440CS-0529809T629002-{4-[-Pyridin-4-yl-2-(2,2,2-trifluoro-ethyl)-2H-pyrazol-3-yl]-phenoxymethyl}-quinoline

Database identifiers

PubChem CID
11554381

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
52.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
34

Related reactions

2 records
New reaction record

Compound notes

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