6-[[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one

C22H19FN6O4 — CID 129157496

About 6-[[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one

6-[[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one (PubChem CID 129157496) has the molecular formula C22H19FN6O4 and a molecular weight of 450.43 g/mol. Its IUPAC name is 6-[[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one.

Molecular Properties

• Compound Name: 6-[[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one
• PubChem CID: 129157496
• Molecular Formula: C22H19FN6O4
• Molecular Weight: 450.43 g/mol
• Exact Mass: 450.15
• IUPAC Name: 6-[[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one
• SMILES: COCCOc1cnc2ccn(Cc3nnc4c(F)cc(-c5cc(C)no5)cn34)c(=O)c2c1
• InChI: InChI=1S/C22H19FN6O4/c1-13-7-19(33-27-13)14-8-17(23)21-26-25-20(29(21)11-14)12-28-4-3-18-16(22(28)30)9-15(10-24-18)32-6-5-31-2/h3-4,7-11H,5-6,12H2,1-2H3
• InChIKey: MGLZSFRUASHFCY-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 109.57 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.43
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one?

The IUPAC name of 6-[[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one (CID 129157496) is 6-[[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one.

What is the SMILES notation for 6-[[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one?

The canonical SMILES for 6-[[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one is COCCOc1cnc2ccn(Cc3nnc4c(F)cc(-c5cc(C)no5)cn34)c(=O)c2c1.

What is the InChIKey of 6-[[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one?

The InChIKey is MGLZSFRUASHFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O4/c1-13-7-19(33-27-13)14-8-17(23)21-26-25-20(29(21)11-14)12-28-4-3-18-16(22(28)30)9-15(10-24-18)32-6-5-31-2/h3-4,7-11H,5-6,12H2,1-2H3.

What are the key properties of 6-[[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one?

6-[[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one has a molecular weight of 450.43 g/mol, XLogP of 2.62, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one is sourced from PubChem (CID 129157496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).