7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[2-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propanoyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide

C47H54N8O9S — CID 167371046

About 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[2-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propanoyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide

7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[2-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propanoyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide (PubChem CID 167371046) has the molecular formula C47H54N8O9S and a molecular weight of 907.06 g/mol. Its IUPAC name is 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[2-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propanoyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[2-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propanoyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide
• PubChem CID: 167371046
• Molecular Formula: C47H54N8O9S
• Molecular Weight: 907.06 g/mol
• Exact Mass: 906.37
• IUPAC Name: 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[2-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propanoyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide
• SMILES: COc1cc(-c2cn(C)c(=O)c3cc(C(=O)NCC4CC5(C4)CN(C(=O)CCN4CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC4)C5)sc23)cc(OC)c1CN(C)C
• InChI: InChI=1S/C47H54N8O9S/c1-50(2)23-34-36(63-4)16-28(17-37(34)64-5)33-24-51(3)44(60)32-19-38(65-41(32)33)43(59)48-22-27-20-47(21-27)25-54(26-47)40(57)10-11-52-12-14-53(15-13-52)29-6-7-30-31(18-29)46(62)55(45(30)61)35-8-9-39(56)49-42(35)58/h6-7,16-19,24,27,35H,8-15,20-23,25-26H2,1-5H3,(H,48,59)(H,49,56,58)
• InChIKey: RPXUHVKNKYPMRH-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 183.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 13
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	907.06
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[2-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propanoyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide?

The IUPAC name of 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[2-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propanoyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide (CID 167371046) is 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[2-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propanoyl]-2-azaspiro[3.3]heptan-6-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-[[2-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propanoyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide?

The canonical SMILES for 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[2-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propanoyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide is COc1cc(-c2cn(C)c(=O)c3cc(C(=O)NCC4CC5(C4)CN(C(=O)CCN4CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC4)C5)sc23)cc(OC)c1CN(C)C.

What is the InChIKey of 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[2-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propanoyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide?

The InChIKey is RPXUHVKNKYPMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H54N8O9S/c1-50(2)23-34-36(63-4)16-28(17-37(34)64-5)33-24-51(3)44(60)32-19-38(65-41(32)33)43(59)48-22-27-20-47(21-27)25-54(26-47)40(57)10-11-52-12-14-53(15-13-52)29-6-7-30-31(18-29)46(62)55(45(30)61)35-8-9-39(56)49-42(35)58/h6-7,16-19,24,27,35H,8-15,20-23,25-26H2,1-5H3,(H,48,59)(H,49,56,58).

What are the key properties of 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[2-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propanoyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide?

7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[2-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propanoyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 907.06 g/mol, XLogP of 2.93, 13 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[2-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propanoyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 167371046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).