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

C36H35F2N5O6S — CID 154670979

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

N-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-3,3-difluoropiperidin-4-yl]-7-(3-ethyl-5-methoxyphenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide (PubChem CID 154670979) has the molecular formula C36H35F2N5O6S and a molecular weight of 703.77 g/mol. Its IUPAC name is N-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-3,3-difluoropiperidin-4-yl]-7-(3-ethyl-5-methoxyphenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-3,3-difluoropiperidin-4-yl]-7-(3-ethyl-5-methoxyphenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide
• PubChem CID: 154670979
• Molecular Formula: C36H35F2N5O6S
• Molecular Weight: 703.77 g/mol
• Exact Mass: 703.23
• IUPAC Name: N-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-3,3-difluoropiperidin-4-yl]-7-(3-ethyl-5-methoxyphenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide
• SMILES: CCc1cc(OC)cc(-c2cn(C)c(=O)c3cc(C(=O)NC4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6)CC4(F)F)sc23)c1
• InChI: InChI=1S/C36H35F2N5O6S/c1-4-19-11-21(13-23(12-19)49-3)26-17-41(2)34(47)25-15-28(50-31(25)26)33(46)39-29-9-10-42(18-36(29,37)38)22-6-5-20-16-43(35(48)24(20)14-22)27-7-8-30(44)40-32(27)45/h5-6,11-15,17,27,29H,4,7-10,16,18H2,1-3H3,(H,39,46)(H,40,44,45)
• InChIKey: QQQFXGCBPSMURQ-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 130.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	703.77
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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 N-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-3,3-difluoropiperidin-4-yl]-7-(3-ethyl-5-methoxyphenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide?

The IUPAC name of N-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-3,3-difluoropiperidin-4-yl]-7-(3-ethyl-5-methoxyphenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide (CID 154670979) is N-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-3,3-difluoropiperidin-4-yl]-7-(3-ethyl-5-methoxyphenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-3,3-difluoropiperidin-4-yl]-7-(3-ethyl-5-methoxyphenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide?

The canonical SMILES for N-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-3,3-difluoropiperidin-4-yl]-7-(3-ethyl-5-methoxyphenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide is CCc1cc(OC)cc(-c2cn(C)c(=O)c3cc(C(=O)NC4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6)CC4(F)F)sc23)c1.

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

The InChIKey is QQQFXGCBPSMURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35F2N5O6S/c1-4-19-11-21(13-23(12-19)49-3)26-17-41(2)34(47)25-15-28(50-31(25)26)33(46)39-29-9-10-42(18-36(29,37)38)22-6-5-20-16-43(35(48)24(20)14-22)27-7-8-30(44)40-32(27)45/h5-6,11-15,17,27,29H,4,7-10,16,18H2,1-3H3,(H,39,46)(H,40,44,45).

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

N-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-3,3-difluoropiperidin-4-yl]-7-(3-ethyl-5-methoxyphenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 703.77 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-3,3-difluoropiperidin-4-yl]-7-(3-ethyl-5-methoxyphenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 154670979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).