Asundexian
4-[[(2S)-2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]butanoyl]amino]-2-fluorobenzamide
Molecular Identity
Asundexian
4-[[(2S)-2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]butanoyl]amino]-2-fluorobenzamide
PubChem CID: 135206011
2D Structure
Properties
C26H21ClF4N6O4
Molecular Formula
592.90
Molecular Weight
g/mol
592.1249
Exact Mass
Da
3
XLogP
Drug-like (Lipinski: < 5)
132
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
10
H-Bond Acceptors
1080
Complexity
SMILES
Canonical SMILES
SMILES: CCC(C(=O)NC1=CC(=C(C=C1)C(=O)N)F)N2C=C(C(=CC2=O)C3=C(C=CC(=C3)Cl)N4C=C(N=N4)C(F)(F)F)OCIsomeric SMILES
SMILES: CC[C@@H](C(=O)NC1=CC(=C(C=C1)C(=O)N)F)N2C=C(C(=CC2=O)C3=C(C=CC(=C3)Cl)N4C=C(N=N4)C(F)(F)F)OCSynonyms(20)
Asundexian2064121-65-7Asundexian [INN]LA585UM8DEUNII-LA585UM8DE4-[[(2S)-2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxopyridin-1-yl]butanoyl]amino]-2-fluorobenzamideBAY2433334BAY 2433334example 235 [WO2017005725A1]1(2H)-Pyridineacetamide, N-(4-(aminocarbonyl)-3-fluorophenyl)-4-(5-chloro-2-(4-(trifluoromethyl)-1H-1,2,3-triazol-1-yl)phenyl)-alpha-ethyl-5-methoxy-2-oxo-, (alphaS)-example 235 (WO2017005725A1)1(2H)-Pyridineacetamide, N-[4-(aminocarbonyl)-3-fluorophenyl]-4-[5-chloro-2-[4-(trifluoromethyl)-1H-1,2,3-triazol-1-yl]phenyl]-alpha-ethyl-5-methoxy-2-oxo-, (alphaS)-4-(((2S)-2-(4-(5-chloro-2-(4-(trifluoromethyl)triazol-1-yl)phenyl)-5-methoxy-2-oxopyridin-1-yl)butanoyl)amino)-2-fluorobenzamideRefChem:1153851(2H)-PYRIDINEACETAMIDE, N-(4-(AMINOCARBONYL)-3-FLUOROPHENYL)-4-(5-CHLORO-2-(4-(TRIFLUOROMETHYL)-1H-1,2,3-TRIAZOL-1-YL)PHENYL)-.ALPHA.-ETHYL-5-METHOXY-2-OXO-, (.ALPHA.S)-
Data from PubChem (NCBI)
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