(5R)-5-[[3-[5-(2,3-dihydroxypropyl)-3-fluoro-6-methoxy-8H-1,5-naphthyridin-4-yl]propylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one

C27H32FN5O6S — CID 91243912

About (5R)-5-[[3-[5-(2,3-dihydroxypropyl)-3-fluoro-6-methoxy-8H-1,5-naphthyridin-4-yl]propylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one

(5R)-5-[[3-[5-(2,3-dihydroxypropyl)-3-fluoro-6-methoxy-8H-1,5-naphthyridin-4-yl]propylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one (PubChem CID 91243912) has the molecular formula C27H32FN5O6S and a molecular weight of 573.65 g/mol. Its IUPAC name is (5R)-5-[[3-[5-(2,3-dihydroxypropyl)-3-fluoro-6-methoxy-8H-1,5-naphthyridin-4-yl]propylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5R)-5-[[3-[5-(2,3-dihydroxypropyl)-3-fluoro-6-methoxy-8H-1,5-naphthyridin-4-yl]propylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
• PubChem CID: 91243912
• Molecular Formula: C27H32FN5O6S
• Molecular Weight: 573.65 g/mol
• Exact Mass: 573.21
• IUPAC Name: (5R)-5-[[3-[5-(2,3-dihydroxypropyl)-3-fluoro-6-methoxy-8H-1,5-naphthyridin-4-yl]propylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
• SMILES: COC1=CCc2ncc(F)c(CCCNC[C@@H]3CN(c4ccc5c(c4)NC(=O)CS5)C(=O)O3)c2N1CC(O)CO
• InChI: InChI=1S/C27H32FN5O6S/c1-38-25-7-5-21-26(33(25)12-17(35)14-34)19(20(28)11-30-21)3-2-8-29-10-18-13-32(27(37)39-18)16-4-6-23-22(9-16)31-24(36)15-40-23/h4,6-7,9,11,17-18,29,34-35H,2-3,5,8,10,12-15H2,1H3,(H,31,36)/t17?,18-/m1/s1
• InChIKey: JNWDHMDCPWCZNP-QRWMCTBCSA-N
• XLogP: 2.02
• TPSA: 136.49 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.65
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[3-[5-(2,3-dihydroxypropyl)-3-fluoro-6-methoxy-8H-1,5-naphthyridin-4-yl]propylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?

The IUPAC name of (5R)-5-[[3-[5-(2,3-dihydroxypropyl)-3-fluoro-6-methoxy-8H-1,5-naphthyridin-4-yl]propylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one (CID 91243912) is (5R)-5-[[3-[5-(2,3-dihydroxypropyl)-3-fluoro-6-methoxy-8H-1,5-naphthyridin-4-yl]propylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one.

What is the SMILES notation for (5R)-5-[[3-[5-(2,3-dihydroxypropyl)-3-fluoro-6-methoxy-8H-1,5-naphthyridin-4-yl]propylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?

The canonical SMILES for (5R)-5-[[3-[5-(2,3-dihydroxypropyl)-3-fluoro-6-methoxy-8H-1,5-naphthyridin-4-yl]propylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one is COC1=CCc2ncc(F)c(CCCNC[C@@H]3CN(c4ccc5c(c4)NC(=O)CS5)C(=O)O3)c2N1CC(O)CO.

What is the InChIKey of (5R)-5-[[3-[5-(2,3-dihydroxypropyl)-3-fluoro-6-methoxy-8H-1,5-naphthyridin-4-yl]propylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?

The InChIKey is JNWDHMDCPWCZNP-QRWMCTBCSA-N. The full InChI is InChI=1S/C27H32FN5O6S/c1-38-25-7-5-21-26(33(25)12-17(35)14-34)19(20(28)11-30-21)3-2-8-29-10-18-13-32(27(37)39-18)16-4-6-23-22(9-16)31-24(36)15-40-23/h4,6-7,9,11,17-18,29,34-35H,2-3,5,8,10,12-15H2,1H3,(H,31,36)/t17?,18-/m1/s1.

What are the key properties of (5R)-5-[[3-[5-(2,3-dihydroxypropyl)-3-fluoro-6-methoxy-8H-1,5-naphthyridin-4-yl]propylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?

(5R)-5-[[3-[5-(2,3-dihydroxypropyl)-3-fluoro-6-methoxy-8H-1,5-naphthyridin-4-yl]propylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one has a molecular weight of 573.65 g/mol, XLogP of 2.02, 11 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[[3-[5-(2,3-dihydroxypropyl)-3-fluoro-6-methoxy-8H-1,5-naphthyridin-4-yl]propylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 91243912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).