1-[2-[[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]pyrrolidine-2,5-dione;formic acid

C28H31FN6O9 — CID 166759351

About 1-[2-[[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]pyrrolidine-2,5-dione;formic acid

1-[2-[[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]pyrrolidine-2,5-dione;formic acid (PubChem CID 166759351) has the molecular formula C28H31FN6O9 and a molecular weight of 614.59 g/mol. Its IUPAC name is 1-[2-[[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]pyrrolidine-2,5-dione;formic acid.

Molecular Properties

• Compound Name: 1-[2-[[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]pyrrolidine-2,5-dione;formic acid
• PubChem CID: 166759351
• Molecular Formula: C28H31FN6O9
• Molecular Weight: 614.59 g/mol
• Exact Mass: 614.21
• IUPAC Name: 1-[2-[[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]pyrrolidine-2,5-dione;formic acid
• SMILES: O=C1COc2ncc(N3CC(CCNCC4Cc5cc(OCCN6C(=O)CCC6=O)cc(F)c5C4)OC3=O)nc2N1.O=CO
• InChI: InChI=1S/C27H29FN6O7.CH2O2/c28-20-10-18(39-6-5-33-23(36)1-2-24(33)37)9-16-7-15(8-19(16)20)11-29-4-3-17-13-34(27(38)41-17)21-12-30-26-25(31-21)32-22(35)14-40-26;2-1-3/h9-10,12,15,17,29H,1-8,11,13-14H2,(H,31,32,35);1H,(H,2,3)
• InChIKey: DHAYGEALKVEOIU-UHFFFAOYSA-N
• XLogP: 0.90
• TPSA: 189.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	614.59
LogP ≤ 5	0.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]pyrrolidine-2,5-dione;formic acid?

The IUPAC name of 1-[2-[[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]pyrrolidine-2,5-dione;formic acid (CID 166759351) is 1-[2-[[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]pyrrolidine-2,5-dione;formic acid.

What is the SMILES notation for 1-[2-[[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]pyrrolidine-2,5-dione;formic acid?

The canonical SMILES for 1-[2-[[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]pyrrolidine-2,5-dione;formic acid is O=C1COc2ncc(N3CC(CCNCC4Cc5cc(OCCN6C(=O)CCC6=O)cc(F)c5C4)OC3=O)nc2N1.O=CO.

What is the InChIKey of 1-[2-[[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]pyrrolidine-2,5-dione;formic acid?

The InChIKey is DHAYGEALKVEOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN6O7.CH2O2/c28-20-10-18(39-6-5-33-23(36)1-2-24(33)37)9-16-7-15(8-19(16)20)11-29-4-3-17-13-34(27(38)41-17)21-12-30-26-25(31-21)32-22(35)14-40-26;2-1-3/h9-10,12,15,17,29H,1-8,11,13-14H2,(H,31,32,35);1H,(H,2,3).

What are the key properties of 1-[2-[[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]pyrrolidine-2,5-dione;formic acid?

1-[2-[[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]pyrrolidine-2,5-dione;formic acid has a molecular weight of 614.59 g/mol, XLogP of 0.90, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]pyrrolidine-2,5-dione;formic acid is sourced from PubChem (CID 166759351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).