[(8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyridin-4-ylmethanone

C19H20FN3O3 — CID 124792526

About [(8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyridin-4-ylmethanone

[(8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyridin-4-ylmethanone (PubChem CID 124792526) has the molecular formula C19H20FN3O3 and a molecular weight of 357.38 g/mol. Its IUPAC name is [(8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyridin-4-ylmethanone.

Molecular Properties

• Compound Name: [(8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyridin-4-ylmethanone
• PubChem CID: 124792526
• Molecular Formula: C19H20FN3O3
• Molecular Weight: 357.38 g/mol
• Exact Mass: 357.15
• IUPAC Name: [(8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyridin-4-ylmethanone
• SMILES: O=C(c1ccncc1)N1CC2(C1)OCC[C@@H]2CCOc1ncccc1F
• InChI: InChI=1S/C19H20FN3O3/c20-16-2-1-7-22-17(16)25-10-5-15-6-11-26-19(15)12-23(13-19)18(24)14-3-8-21-9-4-14/h1-4,7-9,15H,5-6,10-13H2/t15-/m0/s1
• InChIKey: JYGNGLDZMQNTDJ-HNNXBMFYSA-N
• XLogP: 2.32
• TPSA: 64.55 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.38
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyridin-4-ylmethanone?

The IUPAC name of [(8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyridin-4-ylmethanone (CID 124792526) is [(8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyridin-4-ylmethanone.

What is the SMILES notation for [(8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyridin-4-ylmethanone?

The canonical SMILES for [(8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CC2(C1)OCC[C@@H]2CCOc1ncccc1F.

What is the InChIKey of [(8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyridin-4-ylmethanone?

The InChIKey is JYGNGLDZMQNTDJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c20-16-2-1-7-22-17(16)25-10-5-15-6-11-26-19(15)12-23(13-19)18(24)14-3-8-21-9-4-14/h1-4,7-9,15H,5-6,10-13H2/t15-/m0/s1.

What are the key properties of [(8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyridin-4-ylmethanone?

[(8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyridin-4-ylmethanone has a molecular weight of 357.38 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 124792526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).