[8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyridazin-4-ylmethanone

C17H17FN4O3 — CID 131640418

About [8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyridazin-4-ylmethanone

[8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyridazin-4-ylmethanone (PubChem CID 131640418) has the molecular formula C17H17FN4O3 and a molecular weight of 344.35 g/mol. Its IUPAC name is [8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyridazin-4-ylmethanone.

Molecular Properties

• Compound Name: [8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyridazin-4-ylmethanone
• PubChem CID: 131640418
• Molecular Formula: C17H17FN4O3
• Molecular Weight: 344.35 g/mol
• Exact Mass: 344.13
• IUPAC Name: [8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyridazin-4-ylmethanone
• SMILES: O=C(c1ccnnc1)N1CC2(C1)OCCC2COc1ncccc1F
• InChI: InChI=1S/C17H17FN4O3/c18-14-2-1-5-19-15(14)24-9-13-4-7-25-17(13)10-22(11-17)16(23)12-3-6-20-21-8-12/h1-3,5-6,8,13H,4,7,9-11H2
• InChIKey: KZEQRIPKCMIUKC-UHFFFAOYSA-N
• XLogP: 1.32
• TPSA: 77.44 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.35
LogP ≤ 5	1.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyridazin-4-ylmethanone (CID 131640418) is [8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyridazin-4-ylmethanone.

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

The canonical SMILES for [8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyridazin-4-ylmethanone is O=C(c1ccnnc1)N1CC2(C1)OCCC2COc1ncccc1F.

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

The InChIKey is KZEQRIPKCMIUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3/c18-14-2-1-5-19-15(14)24-9-13-4-7-25-17(13)10-22(11-17)16(23)12-3-6-20-21-8-12/h1-3,5-6,8,13H,4,7,9-11H2.

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

[8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyridazin-4-ylmethanone has a molecular weight of 344.35 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 131640418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).