Zanvipixant
[(6S)-1-(5-fluoropyrimidin-2-yl)-6-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanone
Molecular Identity
Zanvipixant
[(6S)-1-(5-fluoropyrimidin-2-yl)-6-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanone
PubChem CID: 90408860
2D Structure
Properties
C17H12F5N7O
Molecular Formula
425.30
Molecular Weight
g/mol
425.1023
Exact Mass
Da
1.5
XLogP
Drug-like (Lipinski: < 5)
89.7
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
11
H-Bond Acceptors
632
Complexity
SMILES
Canonical SMILES
SMILES: CC1CC2=C(CN1C(=O)C3=C(C(=NC=C3)C(F)(F)F)F)N=NN2C4=NC=C(C=N4)FIsomeric SMILES
SMILES: C[C@H]1CC2=C(CN1C(=O)C3=C(C(=NC=C3)C(F)(F)F)F)N=NN2C4=NC=C(C=N4)FSynonyms(20)
JNJ-553089422166558-11-6ZanvipixantJNJ55308942B7YN3CQ7S7METHANONE, ((6S)-1-(5-FLUORO-2-PYRIMIDINYL)-1,4,6,7-TETRAHYDRO-6-METHYL-5H-1,2,3-TRIAZOLO(4,5-C)PYRIDIN-5-YL)(3-FLUORO-2-(TRIFLUOROMETHYL)-4-PYRIDINYL)-RefChem:811619945-914-9(S)-(3-fluoro-2-(trifluoromethyl)pyridin-4-yl)(1-(5-fluoropyrimidin-2-yl)-6-methyl-6,7-dihydro-1H-[1,2,3]triazolo[4,5-c]pyridin-5(4H)-yl)methanone(S)-(3-Fluoro-2-(trifluoromethyl)pyridin-4-yl)(1-(5-fluoropyrimidin-2-yl)-6-methyl-1,4,6,7-tetrahydro-5H-[1,2,3]triazolo[4,5-c]pyridin-5-yl)methanone[(6S)-1-(5-fluoropyrimidin-2-yl)-6-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-[3-fluoro-2-(trifluoromethyl)pyridin-4-yl]methanonezanvipixant [INN]orb1692572CHEMBL3914857SCHEMBL16035842
Data from PubChem (NCBI)
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