[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate;[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone;[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone

C94H130F6N8O26S4Si4 — CID 160564838

About [(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate;[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone;[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone

[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate;[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone;[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone (PubChem CID 160564838) has the molecular formula C94H130F6N8O26S4Si4 and a molecular weight of 2142.70 g/mol. Its IUPAC name is [(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate;[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone;[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone.

Molecular Properties

• Compound Name: [(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate;[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone;[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone
• PubChem CID: 160564838
• Molecular Formula: C94H130F6N8O26S4Si4
• Molecular Weight: 2142.70 g/mol
• Exact Mass: 2140.70
• IUPAC Name: [(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate;[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone;[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone
• SMILES: COc1cc(C(=O)N2CC=C(OS(=O)(=O)C(F)(F)F)C[C@H]2CO[Si](C)(C)C(C)(C)C)c([N+](=O)[O-])cc1C.COc1cc(C(=O)N2CC=C(c3ccsc3)C[C@H]2CO[Si](C)(C)C(C)(C)C)c([N+](=O)[O-])cc1C.COc1cc(C(=O)N2CCC(OS(=O)(=O)C(F)(F)F)=C[C@H]2CO[Si](C)(C)C(C)(C)C)c([N+](=O)[O-])cc1C.COc1cc(C(=O)N2CCC(c3ccsc3)=C[C@H]2CO[Si](C)(C)C(C)(C)C)c([N+](=O)[O-])cc1C
• InChI: InChI=1S/2C25H34N2O5SSi.2C22H31F3N2O8SSi/c2*1-17-12-22(27(29)30)21(14-23(17)31-5)24(28)26-10-8-18(19-9-11-33-16-19)13-20(26)15-32-34(6,7)25(2,3)4;2*1-14-10-18(27(29)30)17(12-19(14)33-5)20(28)26-9-8-16(35-36(31,32)22(23,24)25)11-15(26)13-34-37(6,7)21(2,3)4/h9,11-14,16,20H,8,10,15H2,1-7H3;8-9,11-12,14,16,20H,10,13,15H2,1-7H3;10-12,15H,8-9,13H2,1-7H3;8,10,12,15H,9,11,13H2,1-7H3/t2*20-;2*15-/m0000/s1
• InChIKey: QZTZFKDDDAYQLR-QEZITTMNSA-N
• XLogP: 22.38
• TPSA: 414.38 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 30
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2142.70
LogP ≤ 5	22.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate;[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone;[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone?

The IUPAC name of [(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate;[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone;[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone (CID 160564838) is [(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate;[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone;[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone.

What is the SMILES notation for [(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate;[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone;[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone?

The canonical SMILES for [(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate;[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone;[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone is COc1cc(C(=O)N2CC=C(OS(=O)(=O)C(F)(F)F)C[C@H]2CO[Si](C)(C)C(C)(C)C)c([N+](=O)[O-])cc1C.COc1cc(C(=O)N2CC=C(c3ccsc3)C[C@H]2CO[Si](C)(C)C(C)(C)C)c([N+](=O)[O-])cc1C.COc1cc(C(=O)N2CCC(OS(=O)(=O)C(F)(F)F)=C[C@H]2CO[Si](C)(C)C(C)(C)C)c([N+](=O)[O-])cc1C.COc1cc(C(=O)N2CCC(c3ccsc3)=C[C@H]2CO[Si](C)(C)C(C)(C)C)c([N+](=O)[O-])cc1C.

What is the InChIKey of [(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate;[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone;[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone?

The InChIKey is QZTZFKDDDAYQLR-QEZITTMNSA-N. The full InChI is InChI=1S/2C25H34N2O5SSi.2C22H31F3N2O8SSi/c2*1-17-12-22(27(29)30)21(14-23(17)31-5)24(28)26-10-8-18(19-9-11-33-16-19)13-20(26)15-32-34(6,7)25(2,3)4;2*1-14-10-18(27(29)30)17(12-19(14)33-5)20(28)26-9-8-16(35-36(31,32)22(23,24)25)11-15(26)13-34-37(6,7)21(2,3)4/h9,11-14,16,20H,8,10,15H2,1-7H3;8-9,11-12,14,16,20H,10,13,15H2,1-7H3;10-12,15H,8-9,13H2,1-7H3;8,10,12,15H,9,11,13H2,1-7H3/t2*20-;2*15-/m0000/s1.

What are the key properties of [(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate;[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone;[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone?

[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate;[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone;[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone has a molecular weight of 2142.70 g/mol, XLogP of 22.38, 30 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate;[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone;[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone is sourced from PubChem (CID 160564838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).