N-[3-(4-cyano-3-ethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide

C43H48N8O6 — CID 170395524

About N-[3-(4-cyano-3-ethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide

N-[3-(4-cyano-3-ethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide (PubChem CID 170395524) has the molecular formula C43H48N8O6 and a molecular weight of 772.91 g/mol. Its IUPAC name is N-[3-(4-cyano-3-ethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(4-cyano-3-ethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide
• PubChem CID: 170395524
• Molecular Formula: C43H48N8O6
• Molecular Weight: 772.91 g/mol
• Exact Mass: 772.37
• IUPAC Name: N-[3-(4-cyano-3-ethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide
• SMILES: CCc1cc(OC2C(C)(C)C(NC(=O)c3ccc(N4CCC(CN5Cc6cc7c(cc6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)nn3)C2(C)C)ccc1C#N
• InChI: InChI=1S/C43H48N8O6/c1-6-25-17-29(8-7-26(25)20-44)57-41-42(2,3)40(43(41,4)5)46-36(53)32-9-11-34(48-47-32)50-15-13-24(14-16-50)21-49-22-27-18-30-31(19-28(27)23-49)39(56)51(38(30)55)33-10-12-35(52)45-37(33)54/h7-9,11,17-19,24,33,40-41H,6,10,12-16,21-23H2,1-5H3,(H,46,53)(H,45,52,54)
• InChIKey: NNRUKPYUPCVLFR-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 177.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	772.91
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyano-3-ethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide?

The IUPAC name of N-[3-(4-cyano-3-ethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide (CID 170395524) is N-[3-(4-cyano-3-ethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide.

What is the SMILES notation for N-[3-(4-cyano-3-ethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide?

The canonical SMILES for N-[3-(4-cyano-3-ethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide is CCc1cc(OC2C(C)(C)C(NC(=O)c3ccc(N4CCC(CN5Cc6cc7c(cc6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)nn3)C2(C)C)ccc1C#N.

What is the InChIKey of N-[3-(4-cyano-3-ethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide?

The InChIKey is NNRUKPYUPCVLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H48N8O6/c1-6-25-17-29(8-7-26(25)20-44)57-41-42(2,3)40(43(41,4)5)46-36(53)32-9-11-34(48-47-32)50-15-13-24(14-16-50)21-49-22-27-18-30-31(19-28(27)23-49)39(56)51(38(30)55)33-10-12-35(52)45-37(33)54/h7-9,11,17-19,24,33,40-41H,6,10,12-16,21-23H2,1-5H3,(H,46,53)(H,45,52,54).

What are the key properties of N-[3-(4-cyano-3-ethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide?

N-[3-(4-cyano-3-ethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide has a molecular weight of 772.91 g/mol, XLogP of 4.16, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-cyano-3-ethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 170395524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).