(5R)-5-[[4-(6-methoxy-3-oxo-1,2-dihydropyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one

C25H28N6O5S — CID 142764078

About (5R)-5-[[4-(6-methoxy-3-oxo-1,2-dihydropyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one

(5R)-5-[[4-(6-methoxy-3-oxo-1,2-dihydropyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one (PubChem CID 142764078) has the molecular formula C25H28N6O5S and a molecular weight of 524.60 g/mol. Its IUPAC name is (5R)-5-[[4-(6-methoxy-3-oxo-1,2-dihydropyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5R)-5-[[4-(6-methoxy-3-oxo-1,2-dihydropyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
• PubChem CID: 142764078
• Molecular Formula: C25H28N6O5S
• Molecular Weight: 524.60 g/mol
• Exact Mass: 524.18
• IUPAC Name: (5R)-5-[[4-(6-methoxy-3-oxo-1,2-dihydropyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
• SMILES: COc1ccc2c(n1)N(C1CCN(C[C@@H]3CN(c4ccc5c(c4)NC(=O)CS5)C(=O)O3)CC1)C(=O)CN2
• InChI: InChI=1S/C25H28N6O5S/c1-35-22-5-3-18-24(28-22)31(23(33)11-26-18)15-6-8-29(9-7-15)12-17-13-30(25(34)36-17)16-2-4-20-19(10-16)27-21(32)14-37-20/h2-5,10,15,17,26H,6-9,11-14H2,1H3,(H,27,32)/t17-/m1/s1
• InChIKey: DZMAYFRJCUKUQW-QGZVFWFLSA-N
• XLogP: 2.38
• TPSA: 116.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.60
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of (5R)-5-[[4-(6-methoxy-3-oxo-1,2-dihydropyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one (CID 142764078) is (5R)-5-[[4-(6-methoxy-3-oxo-1,2-dihydropyrido[2,3-b]pyrazin-4-yl)piperidin-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-(6-methoxy-3-oxo-1,2-dihydropyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?

The canonical SMILES for (5R)-5-[[4-(6-methoxy-3-oxo-1,2-dihydropyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one is COc1ccc2c(n1)N(C1CCN(C[C@@H]3CN(c4ccc5c(c4)NC(=O)CS5)C(=O)O3)CC1)C(=O)CN2.

What is the InChIKey of (5R)-5-[[4-(6-methoxy-3-oxo-1,2-dihydropyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?

The InChIKey is DZMAYFRJCUKUQW-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H28N6O5S/c1-35-22-5-3-18-24(28-22)31(23(33)11-26-18)15-6-8-29(9-7-15)12-17-13-30(25(34)36-17)16-2-4-20-19(10-16)27-21(32)14-37-20/h2-5,10,15,17,26H,6-9,11-14H2,1H3,(H,27,32)/t17-/m1/s1.

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

(5R)-5-[[4-(6-methoxy-3-oxo-1,2-dihydropyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one has a molecular weight of 524.60 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[[4-(6-methoxy-3-oxo-1,2-dihydropyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 142764078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).