N-[3-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]piperidin-1-yl]benzamide

C42H42F3N7O6 — CID 166846856

About N-[3-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]piperidin-1-yl]benzamide

N-[3-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]piperidin-1-yl]benzamide (PubChem CID 166846856) has the molecular formula C42H42F3N7O6 and a molecular weight of 797.83 g/mol. Its IUPAC name is N-[3-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]piperidin-1-yl]benzamide.

Molecular Properties

• Compound Name: N-[3-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]piperidin-1-yl]benzamide
• PubChem CID: 166846856
• Molecular Formula: C42H42F3N7O6
• Molecular Weight: 797.83 g/mol
• Exact Mass: 797.31
• IUPAC Name: N-[3-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]piperidin-1-yl]benzamide
• SMILES: CC1(C)C(NC(=O)c2ccc(N3CCC(N4Cc5cc6c(cc5C4)C(=O)N(C4CCC(=O)NC4=O)C6=O)CC3)cc2)C(C)(C)C1Oc1cnc(C#N)c(C(F)(F)F)c1
• InChI: InChI=1S/C42H42F3N7O6/c1-40(2)38(41(3,4)39(40)58-27-17-30(42(43,44)45)31(18-46)47-19-27)49-34(54)22-5-7-25(8-6-22)50-13-11-26(12-14-50)51-20-23-15-28-29(16-24(23)21-51)37(57)52(36(28)56)32-9-10-33(53)48-35(32)55/h5-8,15-17,19,26,32,38-39H,9-14,20-21H2,1-4H3,(H,49,54)(H,48,53,55)
• InChIKey: HUUIJUSJRIJQSP-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 165.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	797.83
LogP ≤ 5	4.97
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-[3-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]piperidin-1-yl]benzamide?

The IUPAC name of N-[3-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]piperidin-1-yl]benzamide (CID 166846856) is N-[3-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]piperidin-1-yl]benzamide.

What is the SMILES notation for N-[3-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]piperidin-1-yl]benzamide?

The canonical SMILES for N-[3-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]piperidin-1-yl]benzamide is CC1(C)C(NC(=O)c2ccc(N3CCC(N4Cc5cc6c(cc5C4)C(=O)N(C4CCC(=O)NC4=O)C6=O)CC3)cc2)C(C)(C)C1Oc1cnc(C#N)c(C(F)(F)F)c1.

What is the InChIKey of N-[3-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]piperidin-1-yl]benzamide?

The InChIKey is HUUIJUSJRIJQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H42F3N7O6/c1-40(2)38(41(3,4)39(40)58-27-17-30(42(43,44)45)31(18-46)47-19-27)49-34(54)22-5-7-25(8-6-22)50-13-11-26(12-14-50)51-20-23-15-28-29(16-24(23)21-51)37(57)52(36(28)56)32-9-10-33(53)48-35(32)55/h5-8,15-17,19,26,32,38-39H,9-14,20-21H2,1-4H3,(H,49,54)(H,48,53,55).

What are the key properties of N-[3-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]piperidin-1-yl]benzamide?

N-[3-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]piperidin-1-yl]benzamide has a molecular weight of 797.83 g/mol, XLogP of 4.97, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]piperidin-1-yl]benzamide is sourced from PubChem (CID 166846856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).