Selinexor
(Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyrazin-2-ylprop-2-enehydrazide
Molecular Identity
Selinexor
(Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyrazin-2-ylprop-2-enehydrazide
PubChem CID: 71481097
Selinexor is a member of the class of triazoles that is 1H-1,2,4-triazole substituted by (1Z)-3-oxo-3-[2-(pyrazin-2-yl)hydrazinyl]prop-1-en-1-yl and 3,5-bis(trifluoromethyl)phenyl groups at positions 1 and 3, respectively. It is a prescription medicine approved for the treatment of adult patients with relapsed or refractory diffuse large B-cell lymphoma. It has a role as an exportin 1 inhibitor, an antineoplastic agent, an anti-inflammatory agent and an apoptosis inducer. It is a hydrazide, a member of triazoles, a member of pyrazines, an enamide and a member of (trifluoromethyl)benzenes.
2D Structure
Properties
C17H11F6N7O
Molecular Formula
443.30
Molecular Weight
g/mol
443.0929
Exact Mass
Da
3
XLogP
Drug-like (Lipinski: < 5)
97.6
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
12
H-Bond Acceptors
621
Complexity
SMILES
Canonical SMILES
SMILES: C1=CN=C(C=N1)NNC(=O)C=CN2C=NC(=N2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)FIsomeric SMILES
SMILES: C1=CN=C(C=N1)NNC(=O)/C=C\N2C=NC(=N2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)FSynonyms(20)
Selinexor1393477-72-9KPT-330Xpovioselinexorum(Z)-3-(3-(3,5-Bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)-N'-(pyrazin-2-yl)acrylohydrazide31TZ62FO8F(Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyrazin-2-ylprop-2-enehydrazideDTXSID8010260132-Propenoic acid, 3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)-, 2-(2-pyrazinyl)hydrazide, (2Z)-(2Z)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-N'-(pyrazin-2-yl)prop-2-enehydrazide2-Propenoic acid, 3-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]-, 2-(2-pyrazinyl)hydrazide, (2Z)-(2Z)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)-N'-(pyrazin-2-yl)prop-2-enehydrazide(Z)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1,2,4-triazol-1-yl)-N'-pyrazin-2-ylprop-2-enehydrazideRefChem:57435
Data from PubChem (NCBI)
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