N-[7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]-1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentyl]piperidine-4-carboxamide

C43H50N6O9S — CID 154671452

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

N-[7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]-1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentyl]piperidine-4-carboxamide (PubChem CID 154671452) has the molecular formula C43H50N6O9S and a molecular weight of 826.97 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-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]-1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentyl]piperidine-4-carboxamide
• PubChem CID: 154671452
• Molecular Formula: C43H50N6O9S
• Molecular Weight: 826.97 g/mol
• Exact Mass: 826.34
• IUPAC Name: N-[7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]-1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentyl]piperidine-4-carboxamide
• SMILES: COc1cc(-c2cn(C)c(=O)c3cc(NC(=O)C4CCN(CCCCCOc5cccc6c5C(=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)20-26(21-34(30)57-5)29-24-47(3)41(53)28-22-36(59-38(28)29)45-39(51)25-14-17-48(18-15-25)16-7-6-8-19-58-32-11-9-10-27-37(32)43(55)49(42(27)54)31-12-13-35(50)44-40(31)52/h9-11,20-22,24-25,31H,6-8,12-19,23H2,1-5H3,(H,45,51)(H,44,50,52)
• InChIKey: LNGAHLWRUIZMQX-UHFFFAOYSA-N
• XLogP: 4.65
• 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	4.65
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 N-[7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]-1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentyl]piperidine-4-carboxamide?

The IUPAC name of N-[7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]-1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentyl]piperidine-4-carboxamide (CID 154671452) is N-[7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]-1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentyl]piperidine-4-carboxamide.

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-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentyl]piperidine-4-carboxamide?

The canonical SMILES for N-[7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]-1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentyl]piperidine-4-carboxamide is COc1cc(-c2cn(C)c(=O)c3cc(NC(=O)C4CCN(CCCCCOc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)sc23)cc(OC)c1CN(C)C.

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

The InChIKey is LNGAHLWRUIZMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H50N6O9S/c1-46(2)23-30-33(56-4)20-26(21-34(30)57-5)29-24-47(3)41(53)28-22-36(59-38(28)29)45-39(51)25-14-17-48(18-15-25)16-7-6-8-19-58-32-11-9-10-27-37(32)43(55)49(42(27)54)31-12-13-35(50)44-40(31)52/h9-11,20-22,24-25,31H,6-8,12-19,23H2,1-5H3,(H,45,51)(H,44,50,52).

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-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentyl]piperidine-4-carboxamide?

N-[7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]-1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentyl]piperidine-4-carboxamide has a molecular weight of 826.97 g/mol, XLogP of 4.65, 15 rotatable bonds, 2 hydrogen bond donors, and 13 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-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentyl]piperidine-4-carboxamide is sourced from PubChem (CID 154671452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).