Tak-915
N-[(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-7-methoxy-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
Molecular Identity
Tak-915
N-[(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-7-methoxy-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
PubChem CID: 72190879
2D Structure
Properties
C19H18F4N4O5
Molecular Formula
458.40
Molecular Weight
g/mol
458.1213
Exact Mass
Da
2
XLogP
Drug-like (Lipinski: < 5)
102
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
10
H-Bond Acceptors
670
Complexity
SMILES
Canonical SMILES
SMILES: COCC(C1=CC(=C(C=C1)OC(F)(F)F)F)NC(=O)N2CC(=O)NC3=C2N=CC(=C3)OCIsomeric SMILES
SMILES: COC[C@H](C1=CC(=C(C=C1)OC(F)(F)F)F)NC(=O)N2CC(=O)NC3=C2N=CC(=C3)OCSynonyms(20)
TAK-9151476727-50-00M4DME62Y9N-{(1s)-1-[3-Fluoro-4-(Trifluoromethoxy)phenyl]-2-Methoxyethyl}-7-Methoxy-2-Oxo-2,3-Dihydropyrido[2,3-B]pyrazine-4(1h)-CarboxamideN-((1S)-1-(3-Fluoro-4-(trifluoromethoxy)phenyl)-2-methoxyethyl)-7-methoxy-2-oxo-2,3-dihydropyrido(2,3-b)pyrazine-4(1H)-carboxamideN-((1S)-1-(3-fluoro-4-(trifluoromethoxy)phenyl)-2-methoxyethyl)-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamideRefChem:187201UNII-0M4DME62Y9CHEMBL4060569N-[(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-7-methoxy-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide(S)-N-(1-(3-fluoro-4-(trifluoromethoxy)phenyl)-2-methoxyethyl)-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamideorb1706587SCHEMBL16563410SCHEMBL29883699GLXC-27319
Data from PubChem (NCBI)
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