((2S,3R)-3-Methyl-2-(((3-(trifluoromethyl)pyridin-2-yl)amino)methyl)piperidin-1-yl)(5-methyl-2-(1-methyl-1H-pyrazol-4-yl)phenyl)methanone

HCID 117728126
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Basic information

Standard SMILES
Cc1ccc(-c2cnn(C)c2)c(C(=O)N2CCC[C@@H](C)[C@H]2CNc2ncccc2C(F)(F)F)c1
InChIKey
JOSOKVYNZLGFLZ-VGOFRKELSA-N
Molecular formula
C25H28F3N5O
Average molar mass
471.5 g/mol
Monoisotopic mass
471.22459502

Names & identifiers

Preferred name
((2S,3R)-3-Methyl-2-(((3-(trifluoromethyl)pyridin-2-yl)amino)methyl)piperidin-1-yl)(5-methyl-2-(1-methyl-1H-pyrazol-4-yl)phenyl)methanone
IUPAC
[5-methyl-2-(1-methylpyrazol-4-yl)phenyl]-[(2S,3R)-3-methyl-2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone

Names & synonyms

((2S,3R)-3-Methyl-2-(((3-(trifluoromethyl)pyridin-2-yl)amino)methyl)piperidin-1-yl)(5-methyl-2-(1-methyl-1H-pyrazol-4-yl)phenyl)methanoneCHEMBL5774973SCHEMBL16277907

Database identifiers

PubChem CID
117728126
ChEMBL
CHEMBL5774973

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
63.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
34

Related reactions

1 records
New reaction record

Linked notes

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