5-bromo-2-fluoropyridine;5-[4-[2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;7-bromo-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;bis(7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole)

C151H156B2Br3F13N26O16 — CID 167597530

About 5-bromo-2-fluoropyridine;5-[4-[2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;7-bromo-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;bis(7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole)

5-bromo-2-fluoropyridine;5-[4-[2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;7-bromo-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;bis(7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole) (PubChem CID 167597530) has the molecular formula C151H156B2Br3F13N26O16 and a molecular weight of 3099.38 g/mol. Its IUPAC name is 5-bromo-2-fluoropyridine;5-[4-[2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;7-bromo-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;bis(7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole).

Molecular Properties

• Compound Name: 5-bromo-2-fluoropyridine;5-[4-[2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;7-bromo-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;bis(7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole)
• PubChem CID: 167597530
• Molecular Formula: C151H156B2Br3F13N26O16
• Molecular Weight: 3099.38 g/mol
• Exact Mass: 3094.97
• IUPAC Name: 5-bromo-2-fluoropyridine;5-[4-[2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;7-bromo-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;bis(7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole)
• SMILES: CC1(C)OB(c2ccc3c4cnccc4n(CC(F)(F)F)c3c2)OC1(C)C.CC1(C)OB(c2ccc3c4cnccc4n(CC(F)(F)F)c3c2)OC1(C)C.FC(F)(F)Cn1c2ccncc2c2ccc(Br)cc21.Fc1ccc(Br)cn1.O=C1CCC(N2C(=O)c3ccc(N4CCN(CCC5CCN(c6ccc(-c7ccc8c9cnccc9n(CC(F)(F)F)c8c7)cn6)CC5)CC4)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(N4CCN(CCC5CCN(c6ccc(Br)cn6)CC5)CC4)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(N4CCN(CCC5CCNCC5)CC4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C42H41F3N8O4.C29H33BrN6O4.C24H31N5O4.2C19H20BF3N2O2.C13H8BrF3N2.C5H3BrFN/c43-42(44,45)25-52-34-9-13-46-24-33(34)30-4-1-27(21-36(30)52)28-2-7-37(47-23-28)51-15-11-26(12-16-51)10-14-49-17-19-50(20-18-49)29-3-5-31-32(22-29)41(57)53(40(31)56)35-6-8-38(54)48-39(35)55;30-20-1-5-25(31-18-20)35-11-8-19(9-12-35)7-10-33-13-15-34(16-14-33)21-2-3-22-23(17-21)29(40)36(28(22)39)24-4-6-26(37)32-27(24)38;30-21-4-3-20(22(31)26-21)29-23(32)18-2-1-17(15-19(18)24(29)33)28-13-11-27(12-14-28)10-7-16-5-8-25-9-6-16;2*1-17(2)18(3,4)27-20(26-17)12-5-6-13-14-10-24-8-7-15(14)25(16(13)9-12)11-19(21,22)23;14-8-1-2-9-10-6-18-4-3-11(10)19(12(9)5-8)7-13(15,16)17;6-4-1-2-5(7)8-3-4/h1-5,7,9,13,21-24,26,35H,6,8,10-12,14-20,25H2,(H,48,54,55);1-3,5,17-19,24H,4,6-16H2,(H,32,37,38);1-2,15-16,20,25H,3-14H2,(H,26,30,31);2*5-10H,11H2,1-4H3;1-6H,7H2;1-3H
• InChIKey: JGZWDGPTCYIRDT-UHFFFAOYSA-N
• XLogP: 23.52
• TPSA: 435.47 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 36
• Rotatable Bonds: 24
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3099.38
LogP ≤ 5	23.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoropyridine;5-[4-[2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;7-bromo-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;bis(7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole)?

The IUPAC name of 5-bromo-2-fluoropyridine;5-[4-[2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;7-bromo-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;bis(7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole) (CID 167597530) is 5-bromo-2-fluoropyridine;5-[4-[2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;7-bromo-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;bis(7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole).

What is the SMILES notation for 5-bromo-2-fluoropyridine;5-[4-[2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;7-bromo-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;bis(7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole)?

The canonical SMILES for 5-bromo-2-fluoropyridine;5-[4-[2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;7-bromo-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;bis(7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole) is CC1(C)OB(c2ccc3c4cnccc4n(CC(F)(F)F)c3c2)OC1(C)C.CC1(C)OB(c2ccc3c4cnccc4n(CC(F)(F)F)c3c2)OC1(C)C.FC(F)(F)Cn1c2ccncc2c2ccc(Br)cc21.Fc1ccc(Br)cn1.O=C1CCC(N2C(=O)c3ccc(N4CCN(CCC5CCN(c6ccc(-c7ccc8c9cnccc9n(CC(F)(F)F)c8c7)cn6)CC5)CC4)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(N4CCN(CCC5CCN(c6ccc(Br)cn6)CC5)CC4)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(N4CCN(CCC5CCNCC5)CC4)cc3C2=O)C(=O)N1.

What is the InChIKey of 5-bromo-2-fluoropyridine;5-[4-[2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;7-bromo-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;bis(7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole)?

The InChIKey is JGZWDGPTCYIRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H41F3N8O4.C29H33BrN6O4.C24H31N5O4.2C19H20BF3N2O2.C13H8BrF3N2.C5H3BrFN/c43-42(44,45)25-52-34-9-13-46-24-33(34)30-4-1-27(21-36(30)52)28-2-7-37(47-23-28)51-15-11-26(12-16-51)10-14-49-17-19-50(20-18-49)29-3-5-31-32(22-29)41(57)53(40(31)56)35-6-8-38(54)48-39(35)55;30-20-1-5-25(31-18-20)35-11-8-19(9-12-35)7-10-33-13-15-34(16-14-33)21-2-3-22-23(17-21)29(40)36(28(22)39)24-4-6-26(37)32-27(24)38;30-21-4-3-20(22(31)26-21)29-23(32)18-2-1-17(15-19(18)24(29)33)28-13-11-27(12-14-28)10-7-16-5-8-25-9-6-16;2*1-17(2)18(3,4)27-20(26-17)12-5-6-13-14-10-24-8-7-15(14)25(16(13)9-12)11-19(21,22)23;14-8-1-2-9-10-6-18-4-3-11(10)19(12(9)5-8)7-13(15,16)17;6-4-1-2-5(7)8-3-4/h1-5,7,9,13,21-24,26,35H,6,8,10-12,14-20,25H2,(H,48,54,55);1-3,5,17-19,24H,4,6-16H2,(H,32,37,38);1-2,15-16,20,25H,3-14H2,(H,26,30,31);2*5-10H,11H2,1-4H3;1-6H,7H2;1-3H.

What are the key properties of 5-bromo-2-fluoropyridine;5-[4-[2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;7-bromo-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;bis(7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole)?

5-bromo-2-fluoropyridine;5-[4-[2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;7-bromo-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;bis(7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole) has a molecular weight of 3099.38 g/mol, XLogP of 23.52, 24 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-fluoropyridine;5-[4-[2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;7-bromo-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;bis(7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole) is sourced from PubChem (CID 167597530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).