6-[(1S)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-[5-[8-fluoro-3-[(1R)-1-(5-oxo-1,6-naphthyridin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,2-oxazol-3-yl]propyl]-3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-one

C44H32F2N14O4 — CID 129157606

About 6-[(1S)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-[5-[8-fluoro-3-[(1R)-1-(5-oxo-1,6-naphthyridin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,2-oxazol-3-yl]propyl]-3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-one

6-[(1S)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-[5-[8-fluoro-3-[(1R)-1-(5-oxo-1,6-naphthyridin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,2-oxazol-3-yl]propyl]-3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-one (PubChem CID 129157606) has the molecular formula C44H32F2N14O4 and a molecular weight of 858.83 g/mol. Its IUPAC name is 6-[(1S)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-[5-[8-fluoro-3-[(1R)-1-(5-oxo-1,6-naphthyridin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,2-oxazol-3-yl]propyl]-3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-one.

Molecular Properties

• Compound Name: 6-[(1S)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-[5-[8-fluoro-3-[(1R)-1-(5-oxo-1,6-naphthyridin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,2-oxazol-3-yl]propyl]-3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-one
• PubChem CID: 129157606
• Molecular Formula: C44H32F2N14O4
• Molecular Weight: 858.83 g/mol
• Exact Mass: 858.27
• IUPAC Name: 6-[(1S)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-[5-[8-fluoro-3-[(1R)-1-(5-oxo-1,6-naphthyridin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,2-oxazol-3-yl]propyl]-3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-one
• SMILES: Cc1cc(-c2cc(F)c3nnc([C@H](CCc4cc(-c5cc(F)c6nnc([C@@H](C)n7ccc8ncccc8c7=O)n6c5)on4)n4ccc5ncc(-c6cnn(C)c6)cc5c4=O)n3c2)on1
• InChI: InChI=1S/C44H32F2N14O4/c1-23-13-37(63-54-23)26-15-33(46)41-52-53-42(60(41)22-26)36(58-12-9-35-31(44(58)62)14-25(18-48-35)28-19-49-56(3)20-28)7-6-29-17-38(64-55-29)27-16-32(45)40-51-50-39(59(40)21-27)24(2)57-11-8-34-30(43(57)61)5-4-10-47-34/h4-5,8-22,24,36H,6-7H2,1-3H3/t24-,36+/m1/s1
• InChIKey: OKILZUXYJURNHS-PNBVQZGLSA-N
• XLogP: 6.32
• TPSA: 200.04 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 10
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	858.83
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

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

The IUPAC name of 6-[(1S)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-[5-[8-fluoro-3-[(1R)-1-(5-oxo-1,6-naphthyridin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,2-oxazol-3-yl]propyl]-3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-one (CID 129157606) is 6-[(1S)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-[5-[8-fluoro-3-[(1R)-1-(5-oxo-1,6-naphthyridin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,2-oxazol-3-yl]propyl]-3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-one.

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

The canonical SMILES for 6-[(1S)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-[5-[8-fluoro-3-[(1R)-1-(5-oxo-1,6-naphthyridin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,2-oxazol-3-yl]propyl]-3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-one is Cc1cc(-c2cc(F)c3nnc([C@H](CCc4cc(-c5cc(F)c6nnc([C@@H](C)n7ccc8ncccc8c7=O)n6c5)on4)n4ccc5ncc(-c6cnn(C)c6)cc5c4=O)n3c2)on1.

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

The InChIKey is OKILZUXYJURNHS-PNBVQZGLSA-N. The full InChI is InChI=1S/C44H32F2N14O4/c1-23-13-37(63-54-23)26-15-33(46)41-52-53-42(60(41)22-26)36(58-12-9-35-31(44(58)62)14-25(18-48-35)28-19-49-56(3)20-28)7-6-29-17-38(64-55-29)27-16-32(45)40-51-50-39(59(40)21-27)24(2)57-11-8-34-30(43(57)61)5-4-10-47-34/h4-5,8-22,24,36H,6-7H2,1-3H3/t24-,36+/m1/s1.

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

6-[(1S)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-[5-[8-fluoro-3-[(1R)-1-(5-oxo-1,6-naphthyridin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,2-oxazol-3-yl]propyl]-3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-one has a molecular weight of 858.83 g/mol, XLogP of 6.32, 10 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(1S)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-[5-[8-fluoro-3-[(1R)-1-(5-oxo-1,6-naphthyridin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,2-oxazol-3-yl]propyl]-3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-one is sourced from PubChem (CID 129157606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).