Suvorexant

C₂₃H₂₃ClN₆O₂ — CID 24965990

About Suvorexant

Suvorexant (PubChem CID 24965990) has the molecular formula C₂₃H₂₃ClN₆O₂ and a molecular weight of 450.93 g/mol. Its IUPAC name is [(7R)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

• Compound Name: Suvorexant
• PubChem CID: 24965990
• Molecular Formula: C₂₃H₂₃ClN₆O₂
• Molecular Weight: 450.93 g/mol
• Exact Mass: 450.16
• IUPAC Name: [(7R)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
• SMILES: Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc4cc(Cl)ccc4o3)CC[C@H]2C)c1
• InChI: InChI=1S/C23H23ClN6O2/c1-15-3-5-20(30-25-8-9-26-30)18(13-15)22(31)29-12-11-28(10-7-16(29)2)23-27-19-14-17(24)4-6-21(19)32-23/h3-6,8-9,13-14,16H,7,10-12H2,1-2H3/t16-/m1/s1
• InChIKey: JYTNQNCOQXFQPK-MRXNPFEDSA-N
• XLogP: 4.11
• TPSA: 80.29 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.93
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of Suvorexant?

The IUPAC name of Suvorexant (CID 24965990) is [(7R)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone.

What is the SMILES notation for Suvorexant?

The canonical SMILES for Suvorexant is Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc4cc(Cl)ccc4o3)CC[C@H]2C)c1.

What is the InChIKey of Suvorexant?

The InChIKey is JYTNQNCOQXFQPK-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H23ClN6O2/c1-15-3-5-20(30-25-8-9-26-30)18(13-15)22(31)29-12-11-28(10-7-16(29)2)23-27-19-14-17(24)4-6-21(19)32-23/h3-6,8-9,13-14,16H,7,10-12H2,1-2H3/t16-/m1/s1.

What are the key properties of Suvorexant?

Suvorexant has a molecular weight of 450.93 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for Suvorexant is sourced from PubChem (CID 24965990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 24965990 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 4881 — approved-drug record (CC BY-SA 4.0)

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