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Chemical structure of Lemborexant

GC19220

Lemborexant

Also known as cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-(3-fluorophenyl)-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide

Lemborexant (E2006) is an oral active diorexin receptor antagonist (DORA) and has been approved by the US Food and Drug Administration for the treatment of insomnia

ChemicalCAS1369764-02-2MW410.42FormulaC22H20F2N4O2
CAS number
1369764-02-2
Molecular weight
410.42
Formula
C22H20F2N4O2
Solubility
DMSO ： ≥ 30 mg/mL (73·10 mM)
InChIKey
MUGXRYIUWFITCP-PGRDOPGGSA-N
Catalogue number
GC19220
Brand
GLPBIO
Computed properties PubChem CID 56944144 · XLogP 3.2 · TPSA 77 Ų · H-bond donors 1
XLogP
3.2
TPSA
77 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
30

SMILES CC1=NC(=NC=C1OC[C@]2(C[C@H]2C(=O)NC3=NC=C(C=C3)F)C4=CC(=CC=C4)F)C

Computed descriptors from PubChem (CID 56944144), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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