Verdinexor

C₁₈H₁₂F₆N₆O — CID 71492799

About Verdinexor

Verdinexor (PubChem CID 71492799) has the molecular formula C₁₈H₁₂F₆N₆O and a molecular weight of 442.32 g/mol. Its IUPAC name is (Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-2-ylprop-2-enehydrazide.

Molecular Properties

• Compound Name: Verdinexor
• PubChem CID: 71492799
• Molecular Formula: C₁₈H₁₂F₆N₆O
• Molecular Weight: 442.32 g/mol
• Exact Mass: 442.10
• IUPAC Name: (Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-2-ylprop-2-enehydrazide
• SMILES: O=C(/C=C\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NNc1ccccn1
• InChI: InChI=1S/C18H12F6N6O/c19-17(20,21)12-7-11(8-13(9-12)18(22,23)24)16-26-10-30(29-16)6-4-15(31)28-27-14-3-1-2-5-25-14/h1-10H,(H,25,27)(H,28,31)/b6-4-
• InChIKey: OPAKEJZFFCECPN-XQRVVYSFSA-N
• XLogP: 3.99
• TPSA: 84.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.32
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Verdinexor?

The IUPAC name of Verdinexor (CID 71492799) is (Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-2-ylprop-2-enehydrazide.

What is the SMILES notation for Verdinexor?

The canonical SMILES for Verdinexor is O=C(/C=C\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NNc1ccccn1.

What is the InChIKey of Verdinexor?

The InChIKey is OPAKEJZFFCECPN-XQRVVYSFSA-N. The full InChI is InChI=1S/C18H12F6N6O/c19-17(20,21)12-7-11(8-13(9-12)18(22,23)24)16-26-10-30(29-16)6-4-15(31)28-27-14-3-1-2-5-25-14/h1-10H,(H,25,27)(H,28,31)/b6-4-.

What are the key properties of Verdinexor?

Verdinexor has a molecular weight of 442.32 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Verdinexor is sourced from PubChem (CID 71492799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 71492799 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 5653 — approved-drug record (CC BY-SA 4.0)

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