(5R)-5-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propyl]amino]methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one

C29H39N5O7Si — CID 68782319

About (5R)-5-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propyl]amino]methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one

(5R)-5-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propyl]amino]methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one (PubChem CID 68782319) has the molecular formula C29H39N5O7Si and a molecular weight of 597.75 g/mol. Its IUPAC name is (5R)-5-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propyl]amino]methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5R)-5-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propyl]amino]methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one
• PubChem CID: 68782319
• Molecular Formula: C29H39N5O7Si
• Molecular Weight: 597.75 g/mol
• Exact Mass: 597.26
• IUPAC Name: (5R)-5-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propyl]amino]methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one
• SMILES: COc1ccc2ncc(=O)n(C[C@@H](CNC[C@@H]3CN(c4ccc5c(c4)OCCO5)C(=O)O3)O[Si](C)(C)C(C)(C)C)c2n1
• InChI: InChI=1S/C29H39N5O7Si/c1-29(2,3)42(5,6)41-21(18-34-26(35)16-31-22-8-10-25(37-4)32-27(22)34)15-30-14-20-17-33(28(36)40-20)19-7-9-23-24(13-19)39-12-11-38-23/h7-10,13,16,20-21,30H,11-12,14-15,17-18H2,1-6H3/t20-,21-/m1/s1
• InChIKey: BRZPHOZBSXTXNG-NHCUHLMSSA-N
• XLogP: 3.58
• TPSA: 126.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	597.75
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propyl]amino]methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one?

The IUPAC name of (5R)-5-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propyl]amino]methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one (CID 68782319) is (5R)-5-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propyl]amino]methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one.

What is the SMILES notation for (5R)-5-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propyl]amino]methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one?

The canonical SMILES for (5R)-5-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propyl]amino]methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one is COc1ccc2ncc(=O)n(C[C@@H](CNC[C@@H]3CN(c4ccc5c(c4)OCCO5)C(=O)O3)O[Si](C)(C)C(C)(C)C)c2n1.

What is the InChIKey of (5R)-5-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propyl]amino]methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one?

The InChIKey is BRZPHOZBSXTXNG-NHCUHLMSSA-N. The full InChI is InChI=1S/C29H39N5O7Si/c1-29(2,3)42(5,6)41-21(18-34-26(35)16-31-22-8-10-25(37-4)32-27(22)34)15-30-14-20-17-33(28(36)40-20)19-7-9-23-24(13-19)39-12-11-38-23/h7-10,13,16,20-21,30H,11-12,14-15,17-18H2,1-6H3/t20-,21-/m1/s1.

What are the key properties of (5R)-5-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propyl]amino]methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one?

(5R)-5-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propyl]amino]methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one has a molecular weight of 597.75 g/mol, XLogP of 3.58, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propyl]amino]methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 68782319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).