(5R)-5-[[2-[(5-methyl-6-oxo-1,8a-dihydropyrido[2,3-b]pyrazin-3-yl)oxy]ethylamino]methyl]-3-(3-oxo-4H-pyrazino[2,3-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one

C20H22N8O5S — CID 176733045

IUPAC(5R)-5-[[2-[(5-methyl-6-oxo-1,8a-dihydropyrido[2,3-b]pyrazin-3-yl)oxy]ethylamino]methyl]-3-(3-oxo-4H-pyrazino[2,3-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one
SMILESCN1C(=O)C=CC2NC=C(OCCNC[C@@H]3CN(c4cnc5c(n4)NC(=O)CS5)C(=O)O3)N=C21
InChIInChI=1S/C20H22N8O5S/c1-27-16(30)3-2-12-18(27)26-15(8-22-12)32-5-4-21-6-11-9-28(20(31)33-11)13-7-23-19-17(24-13)25-14(29)10-34-19/h2-3,7-8,11-12,21-22H,4-6,9-10H2,1H3,(H,24,25,29)/t11-,12?/m1/s1
InChIKeyIPDBXDUZQQUXFU-JHJMLUEUSA-N
MW486.51 g/mol
LogP-0.35
Rot. Bonds7

About (5R)-5-[[2-[(5-methyl-6-oxo-1,8a-dihydropyrido[2,3-b]pyrazin-3-yl)oxy]ethylamino]methyl]-3-(3-oxo-4H-pyrazino[2,3-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one

(5R)-5-[[2-[(5-methyl-6-oxo-1,8a-dihydropyrido[2,3-b]pyrazin-3-yl)oxy]ethylamino]methyl]-3-(3-oxo-4H-pyrazino[2,3-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one (PubChem CID 176733045) has the molecular formula C20H22N8O5S and a molecular weight of 486.51 g/mol. Its IUPAC name is (5R)-5-[[2-[(5-methyl-6-oxo-1,8a-dihydropyrido[2,3-b]pyrazin-3-yl)oxy]ethylamino]methyl]-3-(3-oxo-4H-pyrazino[2,3-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[[2-[(5-methyl-6-oxo-1,8a-dihydropyrido[2,3-b]pyrazin-3-yl)oxy]ethylamino]methyl]-3-(3-oxo-4H-pyrazino[2,3-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one
PubChem CID176733045
Molecular FormulaC20H22N8O5S
Molecular Weight486.51 g/mol
Exact Mass486.14
IUPAC Name(5R)-5-[[2-[(5-methyl-6-oxo-1,8a-dihydropyrido[2,3-b]pyrazin-3-yl)oxy]ethylamino]methyl]-3-(3-oxo-4H-pyrazino[2,3-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one
SMILESCN1C(=O)C=CC2NC=C(OCCNC[C@@H]3CN(c4cnc5c(n4)NC(=O)CS5)C(=O)O3)N=C21
InChIInChI=1S/C20H22N8O5S/c1-27-16(30)3-2-12-18(27)26-15(8-22-12)32-5-4-21-6-11-9-28(20(31)33-11)13-7-23-19-17(24-13)25-14(29)10-34-19/h2-3,7-8,11-12,21-22H,4-6,9-10H2,1H3,(H,24,25,29)/t11-,12?/m1/s1
InChIKeyIPDBXDUZQQUXFU-JHJMLUEUSA-N
XLogP-0.35
TPSA150.38 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.51
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze (5R)-5-[[2-[(5-methyl-6-oxo-1,8a-dihydropyrido[2,3-b]pyrazin-3-yl)oxy]ethylamino]methyl]-3-(3-oxo-4H-pyrazino[2,3-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

6-[(5S)-5-[[2-(6-fluoro-4-methyl-3-oxoquinoxalin-5-yl)oxyethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
CID 142601127
6-[(5S)-5-[[2-[(5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 142601110
6-[(5S)-5-[[2-[(3-chloro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;sulfane
CID 157360078
6-[(5S)-5-[[2-(6-fluoro-4-methyl-3-oxoquinoxalin-5-yl)oxyethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;methane;sulfane
CID 159146316
6-[(5S)-5-[[2-(7-fluoro-1,4-dimethyl-2-oxoquinolin-8-yl)oxyethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
CID 155162513
6-[5-[[2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 139534643
(5S)-5-[[2-(7-chloro-4-methyl-3-oxopyrido[2,3-b]pyrazin-6-yl)oxyethylamino]methyl]-3-(3-methylidene-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-2-one
CID 159886948
formic acid;1-methyl-3-[2-[[(5R)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-5-yl]methylamino]ethyl]quinazoline-2,4-dione
CID 90216296
formic acid;1-methyl-3-[2-[[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-5-yl]methylamino]ethyl]quinazoline-2,4-dione
CID 90216297
6-[5-[[2-(7-fluoro-1-methyl-2-oxoquinolin-8-yl)ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 146458463
6-[(5R)-5-[[3-(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)propylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 142490472
6-[5-[2-[2-(7-fluoro-1,4-dimethyl-2-oxoquinolin-8-yl)oxyethylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
CID 142601074

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[2-[(5-methyl-6-oxo-1,8a-dihydropyrido[2,3-b]pyrazin-3-yl)oxy]ethylamino]methyl]-3-(3-oxo-4H-pyrazino[2,3-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-[[2-[(5-methyl-6-oxo-1,8a-dihydropyrido[2,3-b]pyrazin-3-yl)oxy]ethylamino]methyl]-3-(3-oxo-4H-pyrazino[2,3-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one (CID 176733045) is (5R)-5-[[2-[(5-methyl-6-oxo-1,8a-dihydropyrido[2,3-b]pyrazin-3-yl)oxy]ethylamino]methyl]-3-(3-oxo-4H-pyrazino[2,3-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-[[2-[(5-methyl-6-oxo-1,8a-dihydropyrido[2,3-b]pyrazin-3-yl)oxy]ethylamino]methyl]-3-(3-oxo-4H-pyrazino[2,3-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-[[2-[(5-methyl-6-oxo-1,8a-dihydropyrido[2,3-b]pyrazin-3-yl)oxy]ethylamino]methyl]-3-(3-oxo-4H-pyrazino[2,3-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one is CN1C(=O)C=CC2NC=C(OCCNC[C@@H]3CN(c4cnc5c(n4)NC(=O)CS5)C(=O)O3)N=C21.
What is the InChIKey of (5R)-5-[[2-[(5-methyl-6-oxo-1,8a-dihydropyrido[2,3-b]pyrazin-3-yl)oxy]ethylamino]methyl]-3-(3-oxo-4H-pyrazino[2,3-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one?
The InChIKey is IPDBXDUZQQUXFU-JHJMLUEUSA-N. The full InChI is InChI=1S/C20H22N8O5S/c1-27-16(30)3-2-12-18(27)26-15(8-22-12)32-5-4-21-6-11-9-28(20(31)33-11)13-7-23-19-17(24-13)25-14(29)10-34-19/h2-3,7-8,11-12,21-22H,4-6,9-10H2,1H3,(H,24,25,29)/t11-,12?/m1/s1.
What are the key properties of (5R)-5-[[2-[(5-methyl-6-oxo-1,8a-dihydropyrido[2,3-b]pyrazin-3-yl)oxy]ethylamino]methyl]-3-(3-oxo-4H-pyrazino[2,3-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one?
(5R)-5-[[2-[(5-methyl-6-oxo-1,8a-dihydropyrido[2,3-b]pyrazin-3-yl)oxy]ethylamino]methyl]-3-(3-oxo-4H-pyrazino[2,3-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one has a molecular weight of 486.51 g/mol, XLogP of -0.35, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[2-[(5-methyl-6-oxo-1,8a-dihydropyrido[2,3-b]pyrazin-3-yl)oxy]ethylamino]methyl]-3-(3-oxo-4H-pyrazino[2,3-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 176733045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).