Safimaltib
1-(1-oxo-2H-isoquinolin-5-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
Molecular Identity
Safimaltib
1-(1-oxo-2H-isoquinolin-5-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
PubChem CID: 134609793
2D Structure
Properties
C20H11F6N5O2
Molecular Formula
467.30
Molecular Weight
g/mol
467.0817
Exact Mass
Da
2.9
XLogP
Drug-like (Lipinski: < 5)
88.9
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
10
H-Bond Acceptors
788
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC2=C(C=CNC2=O)C(=C1)N3C(=C(C=N3)C(=O)NC4=CC(=NC=C4)C(F)(F)F)C(F)(F)FIsomeric SMILES
SMILES: C1=CC2=C(C=CNC2=O)C(=C1)N3C(=C(C=N3)C(=O)NC4=CC(=NC=C4)C(F)(F)F)C(F)(F)FSynonyms(20)
safimaltibJNJ-67856633L9790S42AI1-(1-Oxo-1,2-dihydroisoquinolin-5-yl)-5-(trifluoromethyl)-N-(2-(trifluoromethyl)pyridin-4-yl)-1H-pyrazole-4-carboxamideSAFIMALTIB [INN]example 158 [WO2018119036A1]1H-PYRAZOLE-4-CARBOXAMIDE, 1-(1,2-DIHYDRO-1-OXO-5-ISOQUINOLINYL)-5-(TRIFLUOROMETHYL)-N-(2-(TRIFLUOROMETHYL)-4-PYRIDINYL)-example 158 (WO2018119036A1)1H-Pyrazole-4-carboxamide, 1-(1,2-dihydro-1-oxo-5-isoquinolinyl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-RefChem:180803MALT1 Inhibitor JNJ-67856633JNJ-67856633 [WHO-DD]JNJ 67856633Mucosa-associated Lymphoid Tissue Lymphoma Translocation Protein 1 Inhibitor JNJ-67856633874-813-1
Data from PubChem (NCBI)
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