7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[7-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]-7-azaspiro[3.5]nonan-2-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide

C48H58N8O8S — CID 167371044

About 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[7-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]-7-azaspiro[3.5]nonan-2-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide

7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[7-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]-7-azaspiro[3.5]nonan-2-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide (PubChem CID 167371044) 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-[[7-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]-7-azaspiro[3.5]nonan-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-[[7-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]-7-azaspiro[3.5]nonan-2-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide
• PubChem CID: 167371044
• Molecular Formula: C48H58N8O8S
• Molecular Weight: 907.11 g/mol
• Exact Mass: 906.41
• IUPAC Name: 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[7-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]-7-azaspiro[3.5]nonan-2-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide
• SMILES: COc1cc(-c2cn(C)c(=O)c3cc(C(=O)NCC4CC5(CCN(CCN6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)C4)sc23)cc(OC)c1CN(C)C
• InChI: InChI=1S/C48H58N8O8S/c1-51(2)27-36-38(63-4)20-30(21-39(36)64-5)35-28-52(3)45(60)34-23-40(65-42(34)35)44(59)49-26-29-24-48(25-29)10-12-53(13-11-48)14-15-54-16-18-55(19-17-54)31-6-7-32-33(22-31)47(62)56(46(32)61)37-8-9-41(57)50-43(37)58/h6-7,20-23,28-29,37H,8-19,24-27H2,1-5H3,(H,49,59)(H,50,57,58)
• InChIKey: ZRBRVRDDEVDHHZ-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 166.07 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	907.11
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-[[7-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]-7-azaspiro[3.5]nonan-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-[[7-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]-7-azaspiro[3.5]nonan-2-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide (CID 167371044) is 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[7-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]-7-azaspiro[3.5]nonan-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-[[7-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]-7-azaspiro[3.5]nonan-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-[[7-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]-7-azaspiro[3.5]nonan-2-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide is COc1cc(-c2cn(C)c(=O)c3cc(C(=O)NCC4CC5(CCN(CCN6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)C4)sc23)cc(OC)c1CN(C)C.

What is the InChIKey of 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[7-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]-7-azaspiro[3.5]nonan-2-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide?

The InChIKey is ZRBRVRDDEVDHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H58N8O8S/c1-51(2)27-36-38(63-4)20-30(21-39(36)64-5)35-28-52(3)45(60)34-23-40(65-42(34)35)44(59)49-26-29-24-48(25-29)10-12-53(13-11-48)14-15-54-16-18-55(19-17-54)31-6-7-32-33(22-31)47(62)56(46(32)61)37-8-9-41(57)50-43(37)58/h6-7,20-23,28-29,37H,8-19,24-27H2,1-5H3,(H,49,59)(H,50,57,58).

What are the key properties of 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[7-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]-7-azaspiro[3.5]nonan-2-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide?

7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[[7-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]-7-azaspiro[3.5]nonan-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, 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-[[7-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]-7-azaspiro[3.5]nonan-2-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 167371044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).