7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-4,4-difluoropyrrolidin-3-yl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide

C37H38F2N6O7S — CID 154671315

About 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-4,4-difluoropyrrolidin-3-yl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide

7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-4,4-difluoropyrrolidin-3-yl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide (PubChem CID 154671315) has the molecular formula C37H38F2N6O7S and a molecular weight of 748.81 g/mol. Its IUPAC name is 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-4,4-difluoropyrrolidin-3-yl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-4,4-difluoropyrrolidin-3-yl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide
• PubChem CID: 154671315
• Molecular Formula: C37H38F2N6O7S
• Molecular Weight: 748.81 g/mol
• Exact Mass: 748.25
• IUPAC Name: 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-4,4-difluoropyrrolidin-3-yl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide
• SMILES: COc1cc(-c2cn(C)c(=O)c3cc(C(=O)NC4CN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6)CC4(F)F)sc23)cc(OC)c1CN(C)C
• InChI: InChI=1S/C37H38F2N6O7S/c1-42(2)15-25-27(51-4)10-20(11-28(25)52-5)24-16-43(3)35(49)23-13-29(53-32(23)24)34(48)40-30-17-44(18-37(30,38)39)21-7-6-19-14-45(36(50)22(19)12-21)26-8-9-31(46)41-33(26)47/h6-7,10-13,16,26,30H,8-9,14-15,17-18H2,1-5H3,(H,40,48)(H,41,46,47)
• InChIKey: NMIMIBKPOCLERK-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 142.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	748.81
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', '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-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-4,4-difluoropyrrolidin-3-yl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide?

The IUPAC name of 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-4,4-difluoropyrrolidin-3-yl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide (CID 154671315) is 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-4,4-difluoropyrrolidin-3-yl]-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-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-4,4-difluoropyrrolidin-3-yl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide?

The canonical SMILES for 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-4,4-difluoropyrrolidin-3-yl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide is COc1cc(-c2cn(C)c(=O)c3cc(C(=O)NC4CN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6)CC4(F)F)sc23)cc(OC)c1CN(C)C.

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

The InChIKey is NMIMIBKPOCLERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38F2N6O7S/c1-42(2)15-25-27(51-4)10-20(11-28(25)52-5)24-16-43(3)35(49)23-13-29(53-32(23)24)34(48)40-30-17-44(18-37(30,38)39)21-7-6-19-14-45(36(50)22(19)12-21)26-8-9-31(46)41-33(26)47/h6-7,10-13,16,26,30H,8-9,14-15,17-18H2,1-5H3,(H,40,48)(H,41,46,47).

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

7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-4,4-difluoropyrrolidin-3-yl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 748.81 g/mol, XLogP of 3.36, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-4,4-difluoropyrrolidin-3-yl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 154671315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).