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[4-(3,4-Dichloro-phenoxy)-[1,4']bipiperidinyl-1'-yl]-(6-fluoro-imidazo[1,2-a]pyridin-2-yl)-methanone

HCID 22397486
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
O=C(c1cn2cc(F)ccc2n1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1
InChIKey
FPOVHPMLWRZMEM-UHFFFAOYSA-N
Molecular formula
C24H25Cl2FN4O2
Average molar mass
491.4 g/mol

Names & identifiers

Preferred name
[4-(3,4-Dichloro-phenoxy)-[1,4']bipiperidinyl-1'-yl]-(6-fluoro-imidazo[1,2-a]pyridin-2-yl)-methanone
IUPAC
[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidin-1-yl]-(6-fluoroimidazo[1,2-a]pyridin-2-yl)methanone

Names & synonyms

SCHEMBL5421399FPOVHPMLWRZMEM-UHFFFAOYSA-N[4-(3,4-Dichloro-phenoxy)-[1,4']bipiperidinyl-1'-yl]-(6-fluoro-imidazo[1,2-a]pyridin-2-yl)-methanone

Database identifiers

PubChem CID
22397486

Properties

Computed structural propertiesFilling in

XLogP
5.7
Topological polar surface area
50.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
33
Formal charge
0
Complexity
675

Related reactions

5 records
New reaction record
HRID 318249 reaction equation
HRID 318249As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 349750 reaction equation
HRID 349750As productuspto-grants-2007_02
HRID 1060816 reaction equation
HRID 1060816As productuspto-grants-2003_02
HRID 1070924 reaction equation
HRID 1070924As productuspto-grants-2005_06
HRID 1293535 reaction equation
HRID 1293535As productuspto-grants-2007_07

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes