1-(2-(2-(5-Chloro-2-((6-(trifluoromethyl)pyridin-3-yl)amino)pyrimidin-4-yl)ethyl)phenyl)cyclopropanecarboxamide

HCID 73296571

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Basic information

Standard SMILES: NC(=O)C1(c2ccccc2CCc2nc(Nc3ccc(C(F)(F)F)nc3)ncc2Cl)CC1
InChIKey: MZYDUEWRHJEHIO-UHFFFAOYSA-N
Molecular formula: C22H19ClF3N5O
Average molar mass: 461.9 g/mol

Names & identifiers

Preferred name: 1-(2-(2-(5-Chloro-2-((6-(trifluoromethyl)pyridin-3-yl)amino)pyrimidin-4-yl)ethyl)phenyl)cyclopropanecarboxamide
IUPAC: 1-[2-[2-[5-chloro-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide

Names & synonyms

1-(2-(2-(5-chloro-2-((6-(trifluoromethyl)pyridin-3-yl)amino)pyrimidin-4-yl)ethyl)phenyl)cyclopropanecarboxamideCHEMBL3908745SCHEMBL15506700BDBM202402BDBM202403US9238644, 9US9238644, 10

Database identifiers

PubChem CID: 73296571
ChEMBL: CHEMBL3908745

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 93.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 7
Heavy atoms: 32
Formal charge: 0
Complexity: 662

Related reactions

1 records

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HRID 592382As productuspto-grants-2016_01

Compound notes

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