7-[(3-fluoro-2-pyridinyl)oxy]-2-[(2-methoxy-3-pyridinyl)methyl]-5-thia-2-azaspiro[3.4]octane

C18H20FN3O2S — CID 131646254

About 7-[(3-fluoro-2-pyridinyl)oxy]-2-[(2-methoxy-3-pyridinyl)methyl]-5-thia-2-azaspiro[3.4]octane

7-[(3-fluoro-2-pyridinyl)oxy]-2-[(2-methoxy-3-pyridinyl)methyl]-5-thia-2-azaspiro[3.4]octane (PubChem CID 131646254) has the molecular formula C18H20FN3O2S and a molecular weight of 361.44 g/mol. Its IUPAC name is 7-[(3-fluoro-2-pyridinyl)oxy]-2-[(2-methoxy-3-pyridinyl)methyl]-5-thia-2-azaspiro[3.4]octane.

Molecular Properties

• Compound Name: 7-[(3-fluoro-2-pyridinyl)oxy]-2-[(2-methoxy-3-pyridinyl)methyl]-5-thia-2-azaspiro[3.4]octane
• PubChem CID: 131646254
• Molecular Formula: C18H20FN3O2S
• Molecular Weight: 361.44 g/mol
• Exact Mass: 361.13
• IUPAC Name: 7-[(3-fluoro-2-pyridinyl)oxy]-2-[(2-methoxy-3-pyridinyl)methyl]-5-thia-2-azaspiro[3.4]octane
• SMILES: COc1ncccc1CN1CC2(CC(Oc3ncccc3F)CS2)C1
• InChI: InChI=1S/C18H20FN3O2S/c1-23-16-13(4-2-6-20-16)9-22-11-18(12-22)8-14(10-25-18)24-17-15(19)5-3-7-21-17/h2-7,14H,8-12H2,1H3
• InChIKey: CMVLWMOKZYYMRB-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 47.48 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.44
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-[(3-fluoro-2-pyridinyl)oxy]-2-[(2-methoxy-3-pyridinyl)methyl]-5-thia-2-azaspiro[3.4]octane?

The IUPAC name of 7-[(3-fluoro-2-pyridinyl)oxy]-2-[(2-methoxy-3-pyridinyl)methyl]-5-thia-2-azaspiro[3.4]octane (CID 131646254) is 7-[(3-fluoro-2-pyridinyl)oxy]-2-[(2-methoxy-3-pyridinyl)methyl]-5-thia-2-azaspiro[3.4]octane.

What is the SMILES notation for 7-[(3-fluoro-2-pyridinyl)oxy]-2-[(2-methoxy-3-pyridinyl)methyl]-5-thia-2-azaspiro[3.4]octane?

The canonical SMILES for 7-[(3-fluoro-2-pyridinyl)oxy]-2-[(2-methoxy-3-pyridinyl)methyl]-5-thia-2-azaspiro[3.4]octane is COc1ncccc1CN1CC2(CC(Oc3ncccc3F)CS2)C1.

What is the InChIKey of 7-[(3-fluoro-2-pyridinyl)oxy]-2-[(2-methoxy-3-pyridinyl)methyl]-5-thia-2-azaspiro[3.4]octane?

The InChIKey is CMVLWMOKZYYMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2S/c1-23-16-13(4-2-6-20-16)9-22-11-18(12-22)8-14(10-25-18)24-17-15(19)5-3-7-21-17/h2-7,14H,8-12H2,1H3.

What are the key properties of 7-[(3-fluoro-2-pyridinyl)oxy]-2-[(2-methoxy-3-pyridinyl)methyl]-5-thia-2-azaspiro[3.4]octane?

7-[(3-fluoro-2-pyridinyl)oxy]-2-[(2-methoxy-3-pyridinyl)methyl]-5-thia-2-azaspiro[3.4]octane has a molecular weight of 361.44 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(3-fluoro-2-pyridinyl)oxy]-2-[(2-methoxy-3-pyridinyl)methyl]-5-thia-2-azaspiro[3.4]octane is sourced from PubChem (CID 131646254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).