tert-butyl 2-pentoxyacetate;tert-butyl 2-[4-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetate;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[4-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetamide;4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenol;2-[4-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetic acid

C114H135F12N23O18 — CID 164968046

About tert-butyl 2-pentoxyacetate;tert-butyl 2-[4-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetate;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[4-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetamide;4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenol;2-[4-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetic acid

tert-butyl 2-pentoxyacetate;tert-butyl 2-[4-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetate;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[4-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetamide;4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenol;2-[4-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetic acid (PubChem CID 164968046) has the molecular formula C114H135F12N23O18 and a molecular weight of 2343.45 g/mol. Its IUPAC name is tert-butyl 2-pentoxyacetate;tert-butyl 2-[4-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetate;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[4-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetamide;4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenol;2-[4-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetic acid.

Molecular Properties

• Compound Name: tert-butyl 2-pentoxyacetate;tert-butyl 2-[4-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetate;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[4-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetamide;4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenol;2-[4-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetic acid
• PubChem CID: 164968046
• Molecular Formula: C114H135F12N23O18
• Molecular Weight: 2343.45 g/mol
• Exact Mass: 2342.02
• IUPAC Name: tert-butyl 2-pentoxyacetate;tert-butyl 2-[4-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetate;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[4-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetamide;4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenol;2-[4-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetic acid
• SMILES: CC(C)(C)OC(=O)COCCCCOc1ccc(C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1.CCCCCOCC(=O)OC(C)(C)C.O=C(O)COCCCCOc1ccc(C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1.O=C1CCC(N2Cc3c(NC(=O)COCCCCOc4ccc(C5CCN(c6ccc7nnc(C(F)(F)F)n7n6)CC5)cc4)cccc3C2=O)C(=O)N1.Oc1ccc(C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1
• InChI: InChI=1S/C36H37F3N8O6.C27H34F3N5O4.C23H26F3N5O4.C17H16F3N5O.C11H22O3/c37-36(38,39)35-43-42-29-11-12-30(44-47(29)35)45-16-14-23(15-17-45)22-6-8-24(9-7-22)53-19-2-1-18-52-21-32(49)40-27-5-3-4-25-26(27)20-46(34(25)51)28-10-13-31(48)41-33(28)50;1-26(2,3)39-24(36)18-37-16-4-5-17-38-21-8-6-19(7-9-21)20-12-14-34(15-13-20)23-11-10-22-31-32-25(27(28,29)30)35(22)33-23;24-23(25,26)22-28-27-19-7-8-20(29-31(19)22)30-11-9-17(10-12-30)16-3-5-18(6-4-16)35-14-2-1-13-34-15-21(32)33;18-17(19,20)16-22-21-14-5-6-15(23-25(14)16)24-9-7-12(8-10-24)11-1-3-13(26)4-2-11;1-5-6-7-8-13-9-10(12)14-11(2,3)4/h3-9,11-12,23,28H,1-2,10,13-21H2,(H,40,49)(H,41,48,50);6-11,20H,4-5,12-18H2,1-3H3;3-8,17H,1-2,9-15H2,(H,32,33);1-6,12,26H,7-10H2;5-9H2,1-4H3
• InChIKey: CSXCFDLIULTQPX-UHFFFAOYSA-N
• XLogP: 18.70
• TPSA: 455.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 37
• Rotatable Bonds: 40
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2343.45
LogP ≤ 5	18.70
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	37

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 tert-butyl 2-pentoxyacetate;tert-butyl 2-[4-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetate;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[4-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetamide;4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenol;2-[4-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetic acid?

The IUPAC name of tert-butyl 2-pentoxyacetate;tert-butyl 2-[4-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetate;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[4-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetamide;4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenol;2-[4-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetic acid (CID 164968046) is tert-butyl 2-pentoxyacetate;tert-butyl 2-[4-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetate;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[4-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetamide;4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenol;2-[4-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetic acid.

What is the SMILES notation for tert-butyl 2-pentoxyacetate;tert-butyl 2-[4-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetate;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[4-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetamide;4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenol;2-[4-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetic acid?

The canonical SMILES for tert-butyl 2-pentoxyacetate;tert-butyl 2-[4-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetate;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[4-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetamide;4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenol;2-[4-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetic acid is CC(C)(C)OC(=O)COCCCCOc1ccc(C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1.CCCCCOCC(=O)OC(C)(C)C.O=C(O)COCCCCOc1ccc(C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1.O=C1CCC(N2Cc3c(NC(=O)COCCCCOc4ccc(C5CCN(c6ccc7nnc(C(F)(F)F)n7n6)CC5)cc4)cccc3C2=O)C(=O)N1.Oc1ccc(C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1.

What is the InChIKey of tert-butyl 2-pentoxyacetate;tert-butyl 2-[4-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetate;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[4-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetamide;4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenol;2-[4-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetic acid?

The InChIKey is CSXCFDLIULTQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37F3N8O6.C27H34F3N5O4.C23H26F3N5O4.C17H16F3N5O.C11H22O3/c37-36(38,39)35-43-42-29-11-12-30(44-47(29)35)45-16-14-23(15-17-45)22-6-8-24(9-7-22)53-19-2-1-18-52-21-32(49)40-27-5-3-4-25-26(27)20-46(34(25)51)28-10-13-31(48)41-33(28)50;1-26(2,3)39-24(36)18-37-16-4-5-17-38-21-8-6-19(7-9-21)20-12-14-34(15-13-20)23-11-10-22-31-32-25(27(28,29)30)35(22)33-23;24-23(25,26)22-28-27-19-7-8-20(29-31(19)22)30-11-9-17(10-12-30)16-3-5-18(6-4-16)35-14-2-1-13-34-15-21(32)33;18-17(19,20)16-22-21-14-5-6-15(23-25(14)16)24-9-7-12(8-10-24)11-1-3-13(26)4-2-11;1-5-6-7-8-13-9-10(12)14-11(2,3)4/h3-9,11-12,23,28H,1-2,10,13-21H2,(H,40,49)(H,41,48,50);6-11,20H,4-5,12-18H2,1-3H3;3-8,17H,1-2,9-15H2,(H,32,33);1-6,12,26H,7-10H2;5-9H2,1-4H3.

What are the key properties of tert-butyl 2-pentoxyacetate;tert-butyl 2-[4-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetate;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[4-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetamide;4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenol;2-[4-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetic acid?

tert-butyl 2-pentoxyacetate;tert-butyl 2-[4-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetate;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[4-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetamide;4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenol;2-[4-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetic acid has a molecular weight of 2343.45 g/mol, XLogP of 18.70, 40 rotatable bonds, 4 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-pentoxyacetate;tert-butyl 2-[4-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetate;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[4-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetamide;4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenol;2-[4-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetic acid is sourced from PubChem (CID 164968046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).