6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide

C33H31F3N10O6 — CID 167147797

About 6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide

6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide (PubChem CID 167147797) has the molecular formula C33H31F3N10O6 and a molecular weight of 720.67 g/mol. Its IUPAC name is 6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide
• PubChem CID: 167147797
• Molecular Formula: C33H31F3N10O6
• Molecular Weight: 720.67 g/mol
• Exact Mass: 720.24
• IUPAC Name: 6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide
• SMILES: O=C1CCC(N2C(=O)c3cccc(NCCNc4ccc(C(=O)NC5CCC(Oc6ccc7nnc(C(F)(F)F)n7n6)CC5)cn4)c3C2=O)C(=O)N1
• InChI: InChI=1S/C33H31F3N10O6/c34-33(35,36)32-43-42-24-11-13-26(44-46(24)32)52-19-7-5-18(6-8-19)40-28(48)17-4-10-23(39-16-17)38-15-14-37-21-3-1-2-20-27(21)31(51)45(30(20)50)22-9-12-25(47)41-29(22)49/h1-4,10-11,13,16,18-19,22,37H,5-9,12,14-15H2,(H,38,39)(H,40,48)(H,41,47,49)
• InChIKey: VGLKRAZLUSVRJG-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 201.91 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	720.67
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide?

The IUPAC name of 6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide (CID 167147797) is 6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide?

The canonical SMILES for 6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide is O=C1CCC(N2C(=O)c3cccc(NCCNc4ccc(C(=O)NC5CCC(Oc6ccc7nnc(C(F)(F)F)n7n6)CC5)cn4)c3C2=O)C(=O)N1.

What is the InChIKey of 6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide?

The InChIKey is VGLKRAZLUSVRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31F3N10O6/c34-33(35,36)32-43-42-24-11-13-26(44-46(24)32)52-19-7-5-18(6-8-19)40-28(48)17-4-10-23(39-16-17)38-15-14-37-21-3-1-2-20-27(21)31(51)45(30(20)50)22-9-12-25(47)41-29(22)49/h1-4,10-11,13,16,18-19,22,37H,5-9,12,14-15H2,(H,38,39)(H,40,48)(H,41,47,49).

What are the key properties of 6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide?

6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 720.67 g/mol, XLogP of 2.58, 10 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 167147797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).