(5S)-5-[4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]butyl]-3-(7-oxo-8H-thiopyrano[2,3-b]pyrazin-2-yl)-1,3-oxazolidin-2-one

C23H22FN5O5S — CID 157494831

IUPAC(5S)-5-[4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]butyl]-3-(7-oxo-8H-thiopyrano[2,3-b]pyrazin-2-yl)-1,3-oxazolidin-2-one
SMILESCn1c(=O)ccc2ncc(F)c(OCCCC[C@H]3CN(c4cnc5c(n4)CC(=O)CS5)C(=O)O3)c21
InChIInChI=1S/C23H22FN5O5S/c1-28-19(31)6-5-16-20(28)21(15(24)9-25-16)33-7-3-2-4-14-11-29(23(32)34-14)18-10-26-22-17(27-18)8-13(30)12-35-22/h5-6,9-10,14H,2-4,7-8,11-12H2,1H3/t14-/m0/s1
InChIKeyOYPHPEBHCMRCPE-AWEZNQCLSA-N
MW499.52 g/mol
LogP2.65
Rot. Bonds7

About (5S)-5-[4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]butyl]-3-(7-oxo-8H-thiopyrano[2,3-b]pyrazin-2-yl)-1,3-oxazolidin-2-one

(5S)-5-[4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]butyl]-3-(7-oxo-8H-thiopyrano[2,3-b]pyrazin-2-yl)-1,3-oxazolidin-2-one (PubChem CID 157494831) has the molecular formula C23H22FN5O5S and a molecular weight of 499.52 g/mol. Its IUPAC name is (5S)-5-[4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]butyl]-3-(7-oxo-8H-thiopyrano[2,3-b]pyrazin-2-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]butyl]-3-(7-oxo-8H-thiopyrano[2,3-b]pyrazin-2-yl)-1,3-oxazolidin-2-one
PubChem CID157494831
Molecular FormulaC23H22FN5O5S
Molecular Weight499.52 g/mol
Exact Mass499.13
IUPAC Name(5S)-5-[4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]butyl]-3-(7-oxo-8H-thiopyrano[2,3-b]pyrazin-2-yl)-1,3-oxazolidin-2-one
SMILESCn1c(=O)ccc2ncc(F)c(OCCCC[C@H]3CN(c4cnc5c(n4)CC(=O)CS5)C(=O)O3)c21
InChIInChI=1S/C23H22FN5O5S/c1-28-19(31)6-5-16-20(28)21(15(24)9-25-16)33-7-3-2-4-14-11-29(23(32)34-14)18-10-26-22-17(27-18)8-13(30)12-35-22/h5-6,9-10,14H,2-4,7-8,11-12H2,1H3/t14-/m0/s1
InChIKeyOYPHPEBHCMRCPE-AWEZNQCLSA-N
XLogP2.65
TPSA116.51 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.52
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (5S)-5-[4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]butyl]-3-(7-oxo-8H-thiopyrano[2,3-b]pyrazin-2-yl)-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

6-[5-[5-(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)pentyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrano[3,2-b]pyridin-3-one
CID 158341430
2-[(5S)-5-[4-(6-fluoro-4,8-dimethyl-3-oxoquinoxalin-5-yl)oxybutyl]-2-oxo-1,3-oxazolidin-3-yl]-8H-pyrano[2,3-b]pyrazin-7-one;sulfane
CID 159362853
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-(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-[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
(5R)-5-[3-[[(3R)-5-fluoro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl]amino]propyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one
CID 67350984
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-[(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-[(5S)-5-[[1-(7-fluoro-1-methyl-2-oxoquinolin-8-yl)oxypropan-2-ylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
CID 155162501
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-[(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
(5R)-5-[3-[[(3R)-5-fluoro-11-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]amino]propyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 67349868

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]butyl]-3-(7-oxo-8H-thiopyrano[2,3-b]pyrazin-2-yl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-[4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]butyl]-3-(7-oxo-8H-thiopyrano[2,3-b]pyrazin-2-yl)-1,3-oxazolidin-2-one (CID 157494831) is (5S)-5-[4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]butyl]-3-(7-oxo-8H-thiopyrano[2,3-b]pyrazin-2-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-[4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]butyl]-3-(7-oxo-8H-thiopyrano[2,3-b]pyrazin-2-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-[4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]butyl]-3-(7-oxo-8H-thiopyrano[2,3-b]pyrazin-2-yl)-1,3-oxazolidin-2-one is Cn1c(=O)ccc2ncc(F)c(OCCCC[C@H]3CN(c4cnc5c(n4)CC(=O)CS5)C(=O)O3)c21.
What is the InChIKey of (5S)-5-[4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]butyl]-3-(7-oxo-8H-thiopyrano[2,3-b]pyrazin-2-yl)-1,3-oxazolidin-2-one?
The InChIKey is OYPHPEBHCMRCPE-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H22FN5O5S/c1-28-19(31)6-5-16-20(28)21(15(24)9-25-16)33-7-3-2-4-14-11-29(23(32)34-14)18-10-26-22-17(27-18)8-13(30)12-35-22/h5-6,9-10,14H,2-4,7-8,11-12H2,1H3/t14-/m0/s1.
What are the key properties of (5S)-5-[4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]butyl]-3-(7-oxo-8H-thiopyrano[2,3-b]pyrazin-2-yl)-1,3-oxazolidin-2-one?
(5S)-5-[4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]butyl]-3-(7-oxo-8H-thiopyrano[2,3-b]pyrazin-2-yl)-1,3-oxazolidin-2-one has a molecular weight of 499.52 g/mol, XLogP of 2.65, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]butyl]-3-(7-oxo-8H-thiopyrano[2,3-b]pyrazin-2-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 157494831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).