N-[2-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-3,3-dimethyl-4-oxobutyl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C39H38F3N7O8 — CID 170036139

About N-[2-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-3,3-dimethyl-4-oxobutyl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-3,3-dimethyl-4-oxobutyl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 170036139) has the molecular formula C39H38F3N7O8 and a molecular weight of 789.77 g/mol. Its IUPAC name is N-[2-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-3,3-dimethyl-4-oxobutyl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-3,3-dimethyl-4-oxobutyl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
• PubChem CID: 170036139
• Molecular Formula: C39H38F3N7O8
• Molecular Weight: 789.77 g/mol
• Exact Mass: 789.27
• IUPAC Name: N-[2-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-3,3-dimethyl-4-oxobutyl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
• SMILES: COc1cc2c(cc1NC(=O)c1cccc(C(F)(F)F)n1)CN(CCC(C)(C)C(=O)N1CCN(c3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)C2=O
• InChI: InChI=1S/C39H38F3N7O8/c1-38(2,12-13-48-20-21-18-25(28(57-3)19-23(21)34(48)53)44-32(51)24-7-5-9-29(43-24)39(40,41)42)37(56)47-16-14-46(15-17-47)26-8-4-6-22-31(26)36(55)49(35(22)54)27-10-11-30(50)45-33(27)52/h4-9,18-19,27H,10-17,20H2,1-3H3,(H,44,51)(H,45,50,52)
• InChIKey: NPROUPVYUVQIEN-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 178.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	789.77
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-3,3-dimethyl-4-oxobutyl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The IUPAC name of N-[2-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-3,3-dimethyl-4-oxobutyl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 170036139) is N-[2-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-3,3-dimethyl-4-oxobutyl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

What is the SMILES notation for N-[2-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-3,3-dimethyl-4-oxobutyl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The canonical SMILES for N-[2-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-3,3-dimethyl-4-oxobutyl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is COc1cc2c(cc1NC(=O)c1cccc(C(F)(F)F)n1)CN(CCC(C)(C)C(=O)N1CCN(c3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)C2=O.

What is the InChIKey of N-[2-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-3,3-dimethyl-4-oxobutyl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The InChIKey is NPROUPVYUVQIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H38F3N7O8/c1-38(2,12-13-48-20-21-18-25(28(57-3)19-23(21)34(48)53)44-32(51)24-7-5-9-29(43-24)39(40,41)42)37(56)47-16-14-46(15-17-47)26-8-4-6-22-31(26)36(55)49(35(22)54)27-10-11-30(50)45-33(27)52/h4-9,18-19,27H,10-17,20H2,1-3H3,(H,44,51)(H,45,50,52).

What are the key properties of N-[2-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-3,3-dimethyl-4-oxobutyl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

N-[2-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-3,3-dimethyl-4-oxobutyl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 789.77 g/mol, XLogP of 3.48, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-3,3-dimethyl-4-oxobutyl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 170036139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).