6-[(5S)-5-[[2-(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one

C21H20FN7O5 — CID 142490506

IUPAC6-[(5S)-5-[[2-(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
SMILESCn1c(=O)ccc2ncc(F)c(CCNC[C@H]3CN(c4cnc5c(n4)NC(=O)CO5)C(=O)O3)c21
InChIInChI=1S/C21H20FN7O5/c1-28-17(31)3-2-14-18(28)12(13(22)7-24-14)4-5-23-6-11-9-29(21(32)34-11)15-8-25-20-19(26-15)27-16(30)10-33-20/h2-3,7-8,11,23H,4-6,9-10H2,1H3,(H,26,27,30)/t11-/m0/s1
InChIKeyQPGWQRYDUHJLRM-NSHDSACASA-N
MW469.43 g/mol
LogP0.35
Rot. Bonds6

About 6-[(5S)-5-[[2-(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one

6-[(5S)-5-[[2-(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one (PubChem CID 142490506) has the molecular formula C21H20FN7O5 and a molecular weight of 469.43 g/mol. Its IUPAC name is 6-[(5S)-5-[[2-(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[(5S)-5-[[2-(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
PubChem CID142490506
Molecular FormulaC21H20FN7O5
Molecular Weight469.43 g/mol
Exact Mass469.15
IUPAC Name6-[(5S)-5-[[2-(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
SMILESCn1c(=O)ccc2ncc(F)c(CCNC[C@H]3CN(c4cnc5c(n4)NC(=O)CO5)C(=O)O3)c21
InChIInChI=1S/C21H20FN7O5/c1-28-17(31)3-2-14-18(28)12(13(22)7-24-14)4-5-23-6-11-9-29(21(32)34-11)15-8-25-20-19(26-15)27-16(30)10-33-20/h2-3,7-8,11,23H,4-6,9-10H2,1H3,(H,26,27,30)/t11-/m0/s1
InChIKeyQPGWQRYDUHJLRM-NSHDSACASA-N
XLogP0.35
TPSA140.57 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.43
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(5S)-5-[[2-(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one?
The IUPAC name of 6-[(5S)-5-[[2-(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one (CID 142490506) is 6-[(5S)-5-[[2-(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[(5S)-5-[[2-(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[(5S)-5-[[2-(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one is Cn1c(=O)ccc2ncc(F)c(CCNC[C@H]3CN(c4cnc5c(n4)NC(=O)CO5)C(=O)O3)c21.
What is the InChIKey of 6-[(5S)-5-[[2-(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one?
The InChIKey is QPGWQRYDUHJLRM-NSHDSACASA-N. The full InChI is InChI=1S/C21H20FN7O5/c1-28-17(31)3-2-14-18(28)12(13(22)7-24-14)4-5-23-6-11-9-29(21(32)34-11)15-8-25-20-19(26-15)27-16(30)10-33-20/h2-3,7-8,11,23H,4-6,9-10H2,1H3,(H,26,27,30)/t11-/m0/s1.
What are the key properties of 6-[(5S)-5-[[2-(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one?
6-[(5S)-5-[[2-(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one has a molecular weight of 469.43 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5S)-5-[[2-(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one is sourced from PubChem (CID 142490506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).