6-[(5R)-5-[2-[[(6R)-4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one

C27H37FN6O5Si — CID 156861870

IUPAC6-[(5R)-5-[2-[[(6R)-4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one
SMILESCc1ncc(F)c2c1C[C@@H](CNCC[C@@H]1CN(c3cnc4c(n3)N(COCC[Si](C)(C)C)C(=O)CO4)C(=O)O1)C2
InChIInChI=1S/C27H37FN6O5Si/c1-17-20-9-18(10-21(20)22(28)12-30-17)11-29-6-5-19-14-33(27(36)39-19)23-13-31-26-25(32-23)34(24(35)15-38-26)16-37-7-8-40(2,3)4/h12-13,18-19,29H,5-11,14-16H2,1-4H3/t18-,19-/m1/s1
InChIKeyIQDWYMGPMACYBQ-RTBURBONSA-N
MW572.71 g/mol
LogP3.08
Rot. Bonds11

About 6-[(5R)-5-[2-[[(6R)-4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one

6-[(5R)-5-[2-[[(6R)-4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one (PubChem CID 156861870) has the molecular formula C27H37FN6O5Si and a molecular weight of 572.71 g/mol. Its IUPAC name is 6-[(5R)-5-[2-[[(6R)-4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[(5R)-5-[2-[[(6R)-4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one
PubChem CID156861870
Molecular FormulaC27H37FN6O5Si
Molecular Weight572.71 g/mol
Exact Mass572.26
IUPAC Name6-[(5R)-5-[2-[[(6R)-4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one
SMILESCc1ncc(F)c2c1C[C@@H](CNCC[C@@H]1CN(c3cnc4c(n3)N(COCC[Si](C)(C)C)C(=O)CO4)C(=O)O1)C2
InChIInChI=1S/C27H37FN6O5Si/c1-17-20-9-18(10-21(20)22(28)12-30-17)11-29-6-5-19-14-33(27(36)39-19)23-13-31-26-25(32-23)34(24(35)15-38-26)16-37-7-8-40(2,3)4/h12-13,18-19,29H,5-11,14-16H2,1-4H3/t18-,19-/m1/s1
InChIKeyIQDWYMGPMACYBQ-RTBURBONSA-N
XLogP3.08
TPSA119.01 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.71
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(5R)-5-[2-[[(6R)-4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one?
The IUPAC name of 6-[(5R)-5-[2-[[(6R)-4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one (CID 156861870) is 6-[(5R)-5-[2-[[(6R)-4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[(5R)-5-[2-[[(6R)-4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[(5R)-5-[2-[[(6R)-4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one is Cc1ncc(F)c2c1C[C@@H](CNCC[C@@H]1CN(c3cnc4c(n3)N(COCC[Si](C)(C)C)C(=O)CO4)C(=O)O1)C2.
What is the InChIKey of 6-[(5R)-5-[2-[[(6R)-4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one?
The InChIKey is IQDWYMGPMACYBQ-RTBURBONSA-N. The full InChI is InChI=1S/C27H37FN6O5Si/c1-17-20-9-18(10-21(20)22(28)12-30-17)11-29-6-5-19-14-33(27(36)39-19)23-13-31-26-25(32-23)34(24(35)15-38-26)16-37-7-8-40(2,3)4/h12-13,18-19,29H,5-11,14-16H2,1-4H3/t18-,19-/m1/s1.
What are the key properties of 6-[(5R)-5-[2-[[(6R)-4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one?
6-[(5R)-5-[2-[[(6R)-4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one has a molecular weight of 572.71 g/mol, XLogP of 3.08, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5R)-5-[2-[[(6R)-4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one is sourced from PubChem (CID 156861870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).