((2S,3R)-3-methyl-2-(((6-(trifluoromethyl)pyridazin-3-yl)amino)methyl)piperidin-1-yl)(6'-methyl-[2,3'-bipyridin]-2'-yl)methanone

HCID 117728131
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Basic information

Standard SMILES
Cc1ccc(-c2ccccn2)c(C(=O)N2CCC[C@@H](C)[C@H]2CNc2ccc(C(F)(F)F)nn2)n1
InChIKey
XFEKODPLXBOLIO-DNVCBOLYSA-N
Molecular formula
C24H25F3N6O
Average molar mass
470.5 g/mol

Names & identifiers

Preferred name
((2S,3R)-3-methyl-2-(((6-(trifluoromethyl)pyridazin-3-yl)amino)methyl)piperidin-1-yl)(6'-methyl-[2,3'-bipyridin]-2'-yl)methanone
IUPAC
(6-methyl-3-pyridin-2-yl-2-pyridinyl)-[(2S,3R)-3-methyl-2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]piperidin-1-yl]methanone

Names & synonyms

((2S,3R)-3-methyl-2-(((6-(trifluoromethyl)pyridazin-3-yl)amino)methyl)piperidin-1-yl)(6'-methyl-[2,3'-bipyridin]-2'-yl)methanoneCHEMBL5988278SCHEMBL16277914

Database identifiers

PubChem CID
117728131
ChEMBL
CHEMBL5988278

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
83.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
5
Heavy atoms
34

Related reactions

1 records
New reaction record

Compound notes

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((2S,3R)-3-methyl-2-(((6-(trifluoromethyl)pyridazin-3-yl)amino)methyl)piperidin-1-yl)(6'-methyl-[2,3'-bipyridin]-2'-yl)methanone (HCID 117728131)｜Huagongshe