[7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-(1-methylpyrazol-3-yl)methanone

C16H17FN4O2S — CID 133141279

About [7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-(1-methylpyrazol-3-yl)methanone

[7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-(1-methylpyrazol-3-yl)methanone (PubChem CID 133141279) has the molecular formula C16H17FN4O2S and a molecular weight of 348.40 g/mol. Its IUPAC name is [7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

• Compound Name: [7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-(1-methylpyrazol-3-yl)methanone
• PubChem CID: 133141279
• Molecular Formula: C16H17FN4O2S
• Molecular Weight: 348.40 g/mol
• Exact Mass: 348.11
• IUPAC Name: [7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-(1-methylpyrazol-3-yl)methanone
• SMILES: Cn1ccc(C(=O)N2CC3(CC(Oc4ncccc4F)CS3)C2)n1
• InChI: InChI=1S/C16H17FN4O2S/c1-20-6-4-13(19-20)15(22)21-9-16(10-21)7-11(8-24-16)23-14-12(17)3-2-5-18-14/h2-6,11H,7-10H2,1H3
• InChIKey: FVXNYQLWPFJGAN-UHFFFAOYSA-N
• XLogP: 1.73
• TPSA: 60.25 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.40
LogP ≤ 5	1.73
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]-5-thia-2-azaspiro[3.4]octan-2-yl]-(1-methylpyrazol-3-yl)methanone?

The IUPAC name of [7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-(1-methylpyrazol-3-yl)methanone (CID 133141279) is [7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-(1-methylpyrazol-3-yl)methanone.

What is the SMILES notation for [7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-(1-methylpyrazol-3-yl)methanone?

The canonical SMILES for [7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-(1-methylpyrazol-3-yl)methanone is Cn1ccc(C(=O)N2CC3(CC(Oc4ncccc4F)CS3)C2)n1.

What is the InChIKey of [7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-(1-methylpyrazol-3-yl)methanone?

The InChIKey is FVXNYQLWPFJGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2S/c1-20-6-4-13(19-20)15(22)21-9-16(10-21)7-11(8-24-16)23-14-12(17)3-2-5-18-14/h2-6,11H,7-10H2,1H3.

What are the key properties of [7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-(1-methylpyrazol-3-yl)methanone?

[7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-(1-methylpyrazol-3-yl)methanone has a molecular weight of 348.40 g/mol, XLogP of 1.73, 3 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]-5-thia-2-azaspiro[3.4]octan-2-yl]-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 133141279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).