7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[6-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]-6-azaspiro[2.5]octan-2-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide

C48H58N8O8S — CID 154670853

About 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[6-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]-6-azaspiro[2.5]octan-2-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide

7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[6-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]-6-azaspiro[2.5]octan-2-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide (PubChem CID 154670853) has the molecular formula C48H58N8O8S and a molecular weight of 907.11 g/mol. Its IUPAC name is 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[6-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]-6-azaspiro[2.5]octan-2-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[6-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]-6-azaspiro[2.5]octan-2-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide
• PubChem CID: 154670853
• Molecular Formula: C48H58N8O8S
• Molecular Weight: 907.11 g/mol
• Exact Mass: 906.41
• IUPAC Name: 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[6-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]-6-azaspiro[2.5]octan-2-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide
• SMILES: COc1cc(-c2cn(C)c(=O)c3cc(C(=O)NCC4CC45CCN(CCCN4CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC4)CC5)sc23)cc(OC)c1CN(C)C
• InChI: InChI=1S/C48H58N8O8S/c1-51(2)27-36-38(63-4)21-29(22-39(36)64-5)35-28-52(3)45(60)34-24-40(65-42(34)35)44(59)49-26-30-25-48(30)11-15-53(16-12-48)13-6-14-54-17-19-55(20-18-54)31-7-8-32-33(23-31)47(62)56(46(32)61)37-9-10-41(57)50-43(37)58/h7-8,21-24,28,30,37H,6,9-20,25-27H2,1-5H3,(H,49,59)(H,50,57,58)
• InChIKey: OAFKOBCKPAOQQV-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 166.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	907.11
LogP ≤ 5	3.79
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-[[6-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]-6-azaspiro[2.5]octan-2-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide?

The IUPAC name of 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[6-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]-6-azaspiro[2.5]octan-2-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide (CID 154670853) is 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[6-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]-6-azaspiro[2.5]octan-2-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-[[6-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]-6-azaspiro[2.5]octan-2-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide?

The canonical SMILES for 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[6-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]-6-azaspiro[2.5]octan-2-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide is COc1cc(-c2cn(C)c(=O)c3cc(C(=O)NCC4CC45CCN(CCCN4CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC4)CC5)sc23)cc(OC)c1CN(C)C.

What is the InChIKey of 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[6-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]-6-azaspiro[2.5]octan-2-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide?

The InChIKey is OAFKOBCKPAOQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H58N8O8S/c1-51(2)27-36-38(63-4)21-29(22-39(36)64-5)35-28-52(3)45(60)34-24-40(65-42(34)35)44(59)49-26-30-25-48(30)11-15-53(16-12-48)13-6-14-54-17-19-55(20-18-54)31-7-8-32-33(23-31)47(62)56(46(32)61)37-9-10-41(57)50-43(37)58/h7-8,21-24,28,30,37H,6,9-20,25-27H2,1-5H3,(H,49,59)(H,50,57,58).

What are the key properties of 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[6-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]-6-azaspiro[2.5]octan-2-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide?

7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[6-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]-6-azaspiro[2.5]octan-2-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 907.11 g/mol, XLogP of 3.79, 14 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-[[6-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]-6-azaspiro[2.5]octan-2-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 154670853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).