(6R,8R)-8-[2-fluoro-5-[3-(5-methoxypyrazin-2-yl)-1,2-oxazol-5-yl]phenyl]-8-methyl-6-methylimino-6-oxo-6λ6-thia-9-azaspiro[4.5]dec-9-en-10-amine;2,2,2-trifluoroacetic acid

C26H28F4N6O5S — CID 122575222

About (6R,8R)-8-[2-fluoro-5-[3-(5-methoxypyrazin-2-yl)-1,2-oxazol-5-yl]phenyl]-8-methyl-6-methylimino-6-oxo-6λ6-thia-9-azaspiro[4.5]dec-9-en-10-amine;2,2,2-trifluoroacetic acid

(6R,8R)-8-[2-fluoro-5-[3-(5-methoxypyrazin-2-yl)-1,2-oxazol-5-yl]phenyl]-8-methyl-6-methylimino-6-oxo-6λ6-thia-9-azaspiro[4.5]dec-9-en-10-amine;2,2,2-trifluoroacetic acid (PubChem CID 122575222) has the molecular formula C26H28F4N6O5S and a molecular weight of 612.61 g/mol. Its IUPAC name is (6R,8R)-8-[2-fluoro-5-[3-(5-methoxypyrazin-2-yl)-1,2-oxazol-5-yl]phenyl]-8-methyl-6-methylimino-6-oxo-6λ6-thia-9-azaspiro[4.5]dec-9-en-10-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: (6R,8R)-8-[2-fluoro-5-[3-(5-methoxypyrazin-2-yl)-1,2-oxazol-5-yl]phenyl]-8-methyl-6-methylimino-6-oxo-6λ6-thia-9-azaspiro[4.5]dec-9-en-10-amine;2,2,2-trifluoroacetic acid
• PubChem CID: 122575222
• Molecular Formula: C26H28F4N6O5S
• Molecular Weight: 612.61 g/mol
• Exact Mass: 612.18
• IUPAC Name: (6R,8R)-8-[2-fluoro-5-[3-(5-methoxypyrazin-2-yl)-1,2-oxazol-5-yl]phenyl]-8-methyl-6-methylimino-6-oxo-6λ6-thia-9-azaspiro[4.5]dec-9-en-10-amine;2,2,2-trifluoroacetic acid
• SMILES: CN=[S@@]1(=O)C[C@@](C)(c2cc(-c3cc(-c4cnc(OC)cn4)no3)ccc2F)N=C(N)C12CCCC2.O=C(O)C(F)(F)F
• InChI: InChI=1S/C24H27FN6O3S.C2HF3O2/c1-23(14-35(32,27-2)24(22(26)30-23)8-4-5-9-24)16-10-15(6-7-17(16)25)20-11-18(31-34-20)19-12-29-21(33-3)13-28-19;3-2(4,5)1(6)7/h6-7,10-13H,4-5,8-9,14H2,1-3H3,(H2,26,30);(H,6,7)/t23-,35+;/m0./s1
• InChIKey: BINRLOFYRUWWAN-QZQUUEKDSA-N
• XLogP: 4.58
• TPSA: 166.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	612.61
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (6R,8R)-8-[2-fluoro-5-[3-(5-methoxypyrazin-2-yl)-1,2-oxazol-5-yl]phenyl]-8-methyl-6-methylimino-6-oxo-6λ6-thia-9-azaspiro[4.5]dec-9-en-10-amine;2,2,2-trifluoroacetic acid?

The IUPAC name of (6R,8R)-8-[2-fluoro-5-[3-(5-methoxypyrazin-2-yl)-1,2-oxazol-5-yl]phenyl]-8-methyl-6-methylimino-6-oxo-6λ6-thia-9-azaspiro[4.5]dec-9-en-10-amine;2,2,2-trifluoroacetic acid (CID 122575222) is (6R,8R)-8-[2-fluoro-5-[3-(5-methoxypyrazin-2-yl)-1,2-oxazol-5-yl]phenyl]-8-methyl-6-methylimino-6-oxo-6λ6-thia-9-azaspiro[4.5]dec-9-en-10-amine;2,2,2-trifluoroacetic acid.

What is the SMILES notation for (6R,8R)-8-[2-fluoro-5-[3-(5-methoxypyrazin-2-yl)-1,2-oxazol-5-yl]phenyl]-8-methyl-6-methylimino-6-oxo-6λ6-thia-9-azaspiro[4.5]dec-9-en-10-amine;2,2,2-trifluoroacetic acid?

The canonical SMILES for (6R,8R)-8-[2-fluoro-5-[3-(5-methoxypyrazin-2-yl)-1,2-oxazol-5-yl]phenyl]-8-methyl-6-methylimino-6-oxo-6λ6-thia-9-azaspiro[4.5]dec-9-en-10-amine;2,2,2-trifluoroacetic acid is CN=[S@@]1(=O)C[C@@](C)(c2cc(-c3cc(-c4cnc(OC)cn4)no3)ccc2F)N=C(N)C12CCCC2.O=C(O)C(F)(F)F.

What is the InChIKey of (6R,8R)-8-[2-fluoro-5-[3-(5-methoxypyrazin-2-yl)-1,2-oxazol-5-yl]phenyl]-8-methyl-6-methylimino-6-oxo-6λ6-thia-9-azaspiro[4.5]dec-9-en-10-amine;2,2,2-trifluoroacetic acid?

The InChIKey is BINRLOFYRUWWAN-QZQUUEKDSA-N. The full InChI is InChI=1S/C24H27FN6O3S.C2HF3O2/c1-23(14-35(32,27-2)24(22(26)30-23)8-4-5-9-24)16-10-15(6-7-17(16)25)20-11-18(31-34-20)19-12-29-21(33-3)13-28-19;3-2(4,5)1(6)7/h6-7,10-13H,4-5,8-9,14H2,1-3H3,(H2,26,30);(H,6,7)/t23-,35+;/m0./s1.

What are the key properties of (6R,8R)-8-[2-fluoro-5-[3-(5-methoxypyrazin-2-yl)-1,2-oxazol-5-yl]phenyl]-8-methyl-6-methylimino-6-oxo-6λ6-thia-9-azaspiro[4.5]dec-9-en-10-amine;2,2,2-trifluoroacetic acid?

(6R,8R)-8-[2-fluoro-5-[3-(5-methoxypyrazin-2-yl)-1,2-oxazol-5-yl]phenyl]-8-methyl-6-methylimino-6-oxo-6λ6-thia-9-azaspiro[4.5]dec-9-en-10-amine;2,2,2-trifluoroacetic acid has a molecular weight of 612.61 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (6R,8R)-8-[2-fluoro-5-[3-(5-methoxypyrazin-2-yl)-1,2-oxazol-5-yl]phenyl]-8-methyl-6-methylimino-6-oxo-6λ6-thia-9-azaspiro[4.5]dec-9-en-10-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 122575222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).