ethyl 3-[[1-[[tert-butyl(dimethyl)silyl]oxyamino]-3H-inden-5-yl]amino]thieno[2,3-c]pyridine-2-carboxylate

C25H31N3O3SSi — CID 90818418

About ethyl 3-[[1-[[tert-butyl(dimethyl)silyl]oxyamino]-3H-inden-5-yl]amino]thieno[2,3-c]pyridine-2-carboxylate

ethyl 3-[[1-[[tert-butyl(dimethyl)silyl]oxyamino]-3H-inden-5-yl]amino]thieno[2,3-c]pyridine-2-carboxylate (PubChem CID 90818418) has the molecular formula C25H31N3O3SSi and a molecular weight of 481.69 g/mol. Its IUPAC name is ethyl 3-[[1-[[tert-butyl(dimethyl)silyl]oxyamino]-3H-inden-5-yl]amino]thieno[2,3-c]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: ethyl 3-[[1-[[tert-butyl(dimethyl)silyl]oxyamino]-3H-inden-5-yl]amino]thieno[2,3-c]pyridine-2-carboxylate
• PubChem CID: 90818418
• Molecular Formula: C25H31N3O3SSi
• Molecular Weight: 481.69 g/mol
• Exact Mass: 481.19
• IUPAC Name: ethyl 3-[[1-[[tert-butyl(dimethyl)silyl]oxyamino]-3H-inden-5-yl]amino]thieno[2,3-c]pyridine-2-carboxylate
• SMILES: CCOC(=O)c1sc2cnccc2c1Nc1ccc2c(c1)CC=C2NO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C25H31N3O3SSi/c1-7-30-24(29)23-22(19-12-13-26-15-21(19)32-23)27-17-9-10-18-16(14-17)8-11-20(18)28-31-33(5,6)25(2,3)4/h9-15,27-28H,7-8H2,1-6H3
• InChIKey: WJPMESOGKPRIMG-UHFFFAOYSA-N
• XLogP: 6.64
• TPSA: 72.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.69
LogP ≤ 5	6.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[1-[[tert-butyl(dimethyl)silyl]oxyamino]-3H-inden-5-yl]amino]thieno[2,3-c]pyridine-2-carboxylate?

The IUPAC name of ethyl 3-[[1-[[tert-butyl(dimethyl)silyl]oxyamino]-3H-inden-5-yl]amino]thieno[2,3-c]pyridine-2-carboxylate (CID 90818418) is ethyl 3-[[1-[[tert-butyl(dimethyl)silyl]oxyamino]-3H-inden-5-yl]amino]thieno[2,3-c]pyridine-2-carboxylate.

What is the SMILES notation for ethyl 3-[[1-[[tert-butyl(dimethyl)silyl]oxyamino]-3H-inden-5-yl]amino]thieno[2,3-c]pyridine-2-carboxylate?

The canonical SMILES for ethyl 3-[[1-[[tert-butyl(dimethyl)silyl]oxyamino]-3H-inden-5-yl]amino]thieno[2,3-c]pyridine-2-carboxylate is CCOC(=O)c1sc2cnccc2c1Nc1ccc2c(c1)CC=C2NO[Si](C)(C)C(C)(C)C.

What is the InChIKey of ethyl 3-[[1-[[tert-butyl(dimethyl)silyl]oxyamino]-3H-inden-5-yl]amino]thieno[2,3-c]pyridine-2-carboxylate?

The InChIKey is WJPMESOGKPRIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3SSi/c1-7-30-24(29)23-22(19-12-13-26-15-21(19)32-23)27-17-9-10-18-16(14-17)8-11-20(18)28-31-33(5,6)25(2,3)4/h9-15,27-28H,7-8H2,1-6H3.

What are the key properties of ethyl 3-[[1-[[tert-butyl(dimethyl)silyl]oxyamino]-3H-inden-5-yl]amino]thieno[2,3-c]pyridine-2-carboxylate?

ethyl 3-[[1-[[tert-butyl(dimethyl)silyl]oxyamino]-3H-inden-5-yl]amino]thieno[2,3-c]pyridine-2-carboxylate has a molecular weight of 481.69 g/mol, XLogP of 6.64, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 3-[[1-[[tert-butyl(dimethyl)silyl]oxyamino]-3H-inden-5-yl]amino]thieno[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 90818418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).