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

C26H27FN6O4S — CID 66953771

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

(5R)-5-[[4-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1,4-diazepan-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one (PubChem CID 66953771) has the molecular formula C26H27FN6O4S and a molecular weight of 538.61 g/mol. Its IUPAC name is (5R)-5-[[4-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1,4-diazepan-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5R)-5-[[4-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1,4-diazepan-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
• PubChem CID: 66953771
• Molecular Formula: C26H27FN6O4S
• Molecular Weight: 538.61 g/mol
• Exact Mass: 538.18
• IUPAC Name: (5R)-5-[[4-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1,4-diazepan-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
• SMILES: COc1ccc2ncc(F)c(N3CCCN(C[C@@H]4CN(c5ccc6c(c5)NC(=O)CS6)C(=O)O4)CC3)c2n1
• InChI: InChI=1S/C26H27FN6O4S/c1-36-23-6-4-19-24(30-23)25(18(27)12-28-19)32-8-2-7-31(9-10-32)13-17-14-33(26(35)37-17)16-3-5-21-20(11-16)29-22(34)15-38-21/h3-6,11-12,17H,2,7-10,13-15H2,1H3,(H,29,34)/t17-/m1/s1
• InChIKey: WDLZWUAAVCHQJS-QGZVFWFLSA-N
• XLogP: 3.36
• TPSA: 100.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.61
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of (5R)-5-[[4-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1,4-diazepan-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one (CID 66953771) is (5R)-5-[[4-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1,4-diazepan-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one.

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

The canonical SMILES for (5R)-5-[[4-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1,4-diazepan-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one is COc1ccc2ncc(F)c(N3CCCN(C[C@@H]4CN(c5ccc6c(c5)NC(=O)CS6)C(=O)O4)CC3)c2n1.

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

The InChIKey is WDLZWUAAVCHQJS-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H27FN6O4S/c1-36-23-6-4-19-24(30-23)25(18(27)12-28-19)32-8-2-7-31(9-10-32)13-17-14-33(26(35)37-17)16-3-5-21-20(11-16)29-22(34)15-38-21/h3-6,11-12,17H,2,7-10,13-15H2,1H3,(H,29,34)/t17-/m1/s1.

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

(5R)-5-[[4-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1,4-diazepan-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one has a molecular weight of 538.61 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[[4-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1,4-diazepan-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 66953771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).