(8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-[(2-methoxy-3-pyridinyl)methyl]-5-oxa-2-azaspiro[3.4]octane

C20H24FN3O3 — CID 124791081

About (8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-[(2-methoxy-3-pyridinyl)methyl]-5-oxa-2-azaspiro[3.4]octane

(8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-[(2-methoxy-3-pyridinyl)methyl]-5-oxa-2-azaspiro[3.4]octane (PubChem CID 124791081) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is (8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-[(2-methoxy-3-pyridinyl)methyl]-5-oxa-2-azaspiro[3.4]octane.

Molecular Properties

• Compound Name: (8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-[(2-methoxy-3-pyridinyl)methyl]-5-oxa-2-azaspiro[3.4]octane
• PubChem CID: 124791081
• Molecular Formula: C20H24FN3O3
• Molecular Weight: 373.43 g/mol
• Exact Mass: 373.18
• IUPAC Name: (8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-[(2-methoxy-3-pyridinyl)methyl]-5-oxa-2-azaspiro[3.4]octane
• SMILES: COc1ncccc1CN1CC2(C1)OCC[C@@H]2CCOc1ncccc1F
• InChI: InChI=1S/C20H24FN3O3/c1-25-18-15(4-2-8-22-18)12-24-13-20(14-24)16(7-11-27-20)6-10-26-19-17(21)5-3-9-23-19/h2-5,8-9,16H,6-7,10-14H2,1H3/t16-/m0/s1
• InChIKey: LJFHDJKEXLLUBF-INIZCTEOSA-N
• XLogP: 2.68
• TPSA: 56.71 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.43
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-[(2-methoxy-3-pyridinyl)methyl]-5-oxa-2-azaspiro[3.4]octane?

The IUPAC name of (8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-[(2-methoxy-3-pyridinyl)methyl]-5-oxa-2-azaspiro[3.4]octane (CID 124791081) is (8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-[(2-methoxy-3-pyridinyl)methyl]-5-oxa-2-azaspiro[3.4]octane.

What is the SMILES notation for (8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-[(2-methoxy-3-pyridinyl)methyl]-5-oxa-2-azaspiro[3.4]octane?

The canonical SMILES for (8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-[(2-methoxy-3-pyridinyl)methyl]-5-oxa-2-azaspiro[3.4]octane is COc1ncccc1CN1CC2(C1)OCC[C@@H]2CCOc1ncccc1F.

What is the InChIKey of (8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-[(2-methoxy-3-pyridinyl)methyl]-5-oxa-2-azaspiro[3.4]octane?

The InChIKey is LJFHDJKEXLLUBF-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24FN3O3/c1-25-18-15(4-2-8-22-18)12-24-13-20(14-24)16(7-11-27-20)6-10-26-19-17(21)5-3-9-23-19/h2-5,8-9,16H,6-7,10-14H2,1H3/t16-/m0/s1.

What are the key properties of (8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-[(2-methoxy-3-pyridinyl)methyl]-5-oxa-2-azaspiro[3.4]octane?

(8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-[(2-methoxy-3-pyridinyl)methyl]-5-oxa-2-azaspiro[3.4]octane has a molecular weight of 373.43 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-[(2-methoxy-3-pyridinyl)methyl]-5-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 124791081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).