Molecules/[3-bromo-4-(trifluoromethyl)phenyl]-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
[3-bromo-4-(trifluoromethyl)phenyl]-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
[3-bromo-4-(trifluoromethyl)phenyl]-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
Molecular Identity
[3-bromo-4-(trifluoromethyl)phenyl]-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
[3-bromo-4-(trifluoromethyl)phenyl]-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
PubChem CID: 118479616
2D Structure
Properties
C18H15BrF3N5O2
Molecular Formula
470.20
Molecular Weight
g/mol
469.0361
Exact Mass
Da
2.7
XLogP
Drug-like (Lipinski: < 5)
72.6
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
8
H-Bond Acceptors
613
Complexity
SMILES
Canonical SMILES
SMILES: CC1=NC2=NC=NN2C(=C1)C3CN(CCO3)C(=O)C4=CC(=C(C=C4)C(F)(F)F)BrIsomeric SMILES
SMILES: CC1=NC2=NC=NN2C(=C1)[C@@H]3CN(CCO3)C(=O)C4=CC(=C(C=C4)C(F)(F)F)BrSynonyms(11)
[3-bromo-4-(trifluoromethyl)phenyl]-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanoneAGP100CHEMBL5972815SCHEMBL17214487SCHEMBL30487673DART-8569GTPL14503SKCMMPJYCHJZCN-HNNXBMFYSA-NBDBM527088US11186582, Example 368example 368 [WO2015164508]
Data from PubChem (NCBI)
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Molecular Structure
[3-bromo-4-(trifluoromethyl)phenyl]-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
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Drug Network
Trials and conditions connected to [3-bromo-4-(trifluoromethyl)phenyl]-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
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