N-[7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]-1-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]propanoyl]piperidine-4-carboxamide;formic acid

C46H55N7O13S — CID 155026389

About N-[7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]-1-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]propanoyl]piperidine-4-carboxamide;formic acid

N-[7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]-1-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]propanoyl]piperidine-4-carboxamide;formic acid (PubChem CID 155026389) has the molecular formula C46H55N7O13S and a molecular weight of 946.05 g/mol. Its IUPAC name is N-[7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]-1-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]propanoyl]piperidine-4-carboxamide;formic acid.

Molecular Properties

• Compound Name: N-[7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]-1-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]propanoyl]piperidine-4-carboxamide;formic acid
• PubChem CID: 155026389
• Molecular Formula: C46H55N7O13S
• Molecular Weight: 946.05 g/mol
• Exact Mass: 945.36
• IUPAC Name: N-[7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]-1-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]propanoyl]piperidine-4-carboxamide;formic acid
• SMILES: COc1cc(-c2cn(C)c(=O)c3cc(NC(=O)C4CCN(C(=O)CCOCCOCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)sc23)cc(OC)c1CN(C)C.O=CO
• InChI: InChI=1S/C45H53N7O11S.CH2O2/c1-49(2)24-31-34(60-4)21-27(22-35(31)61-5)30-25-50(3)43(57)29-23-37(64-40(29)30)48-41(55)26-11-15-51(16-12-26)38(54)13-17-62-19-20-63-18-14-46-32-8-6-7-28-39(32)45(59)52(44(28)58)33-9-10-36(53)47-42(33)56;2-1-3/h6-8,21-23,25-26,33,46H,9-20,24H2,1-5H3,(H,48,55)(H,47,53,56);1H,(H,2,3)
• InChIKey: JFQKEEQBZSBUQG-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 244.45 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 18
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	946.05
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]-1-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]propanoyl]piperidine-4-carboxamide;formic acid?

The IUPAC name of N-[7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]-1-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]propanoyl]piperidine-4-carboxamide;formic acid (CID 155026389) is N-[7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]-1-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]propanoyl]piperidine-4-carboxamide;formic acid.

What is the SMILES notation for N-[7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]-1-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]propanoyl]piperidine-4-carboxamide;formic acid?

The canonical SMILES for N-[7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]-1-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]propanoyl]piperidine-4-carboxamide;formic acid is COc1cc(-c2cn(C)c(=O)c3cc(NC(=O)C4CCN(C(=O)CCOCCOCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)sc23)cc(OC)c1CN(C)C.O=CO.

What is the InChIKey of N-[7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]-1-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]propanoyl]piperidine-4-carboxamide;formic acid?

The InChIKey is JFQKEEQBZSBUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H53N7O11S.CH2O2/c1-49(2)24-31-34(60-4)21-27(22-35(31)61-5)30-25-50(3)43(57)29-23-37(64-40(29)30)48-41(55)26-11-15-51(16-12-26)38(54)13-17-62-19-20-63-18-14-46-32-8-6-7-28-39(32)45(59)52(44(28)58)33-9-10-36(53)47-42(33)56;2-1-3/h6-8,21-23,25-26,33,46H,9-20,24H2,1-5H3,(H,48,55)(H,47,53,56);1H,(H,2,3).

What are the key properties of N-[7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]-1-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]propanoyl]piperidine-4-carboxamide;formic acid?

N-[7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]-1-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]propanoyl]piperidine-4-carboxamide;formic acid has a molecular weight of 946.05 g/mol, XLogP of 3.16, 18 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]-1-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]propanoyl]piperidine-4-carboxamide;formic acid is sourced from PubChem (CID 155026389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).