7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[1-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxybutyl]piperidin-4-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide

C43H50N6O9S — CID 155034785

About 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[1-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxybutyl]piperidin-4-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide

7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[1-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxybutyl]piperidin-4-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide (PubChem CID 155034785) has the molecular formula C43H50N6O9S and a molecular weight of 826.97 g/mol. Its IUPAC name is 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[1-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxybutyl]piperidin-4-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[1-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxybutyl]piperidin-4-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide
• PubChem CID: 155034785
• Molecular Formula: C43H50N6O9S
• Molecular Weight: 826.97 g/mol
• Exact Mass: 826.34
• IUPAC Name: 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[1-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxybutyl]piperidin-4-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide
• SMILES: COc1cc(-c2cn(C)c(=O)c3cc(C(=O)NCC4CCN(CCCCOc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)sc23)cc(OC)c1CN(C)C
• InChI: InChI=1S/C43H50N6O9S/c1-46(2)23-30-33(56-4)19-26(20-34(30)57-5)29-24-47(3)41(53)28-21-35(59-38(28)29)40(52)44-22-25-13-16-48(17-14-25)15-6-7-18-58-32-10-8-9-27-37(32)43(55)49(42(27)54)31-11-12-36(50)45-39(31)51/h8-10,19-21,24-25,31H,6-7,11-18,22-23H2,1-5H3,(H,44,52)(H,45,50,51)
• InChIKey: RGALZTCYPFCDMJ-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 168.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	826.97
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[1-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxybutyl]piperidin-4-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide?

The IUPAC name of 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[1-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxybutyl]piperidin-4-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide (CID 155034785) is 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[1-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxybutyl]piperidin-4-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide.

What is the SMILES notation for 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[1-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxybutyl]piperidin-4-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide?

The canonical SMILES for 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[1-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxybutyl]piperidin-4-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide is COc1cc(-c2cn(C)c(=O)c3cc(C(=O)NCC4CCN(CCCCOc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)sc23)cc(OC)c1CN(C)C.

What is the InChIKey of 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[1-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxybutyl]piperidin-4-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide?

The InChIKey is RGALZTCYPFCDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H50N6O9S/c1-46(2)23-30-33(56-4)19-26(20-34(30)57-5)29-24-47(3)41(53)28-21-35(59-38(28)29)40(52)44-22-25-13-16-48(17-14-25)15-6-7-18-58-32-10-8-9-27-37(32)43(55)49(42(27)54)31-11-12-36(50)45-39(31)51/h8-10,19-21,24-25,31H,6-7,11-18,22-23H2,1-5H3,(H,44,52)(H,45,50,51).

What are the key properties of 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[1-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxybutyl]piperidin-4-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide?

7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[1-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxybutyl]piperidin-4-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 826.97 g/mol, XLogP of 4.05, 15 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[1-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxybutyl]piperidin-4-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 155034785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).