3-bromo-6-chloropyridazine;5-[4-[2-[1-(6-bromopyridazin-3-yl)piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[2-[1-[6-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]pyridazin-3-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]isoindole-1,3-dione

C114H123BBr2ClF4N25O14 — CID 167603342

About 3-bromo-6-chloropyridazine;5-[4-[2-[1-(6-bromopyridazin-3-yl)piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[2-[1-[6-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]pyridazin-3-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]isoindole-1,3-dione

3-bromo-6-chloropyridazine;5-[4-[2-[1-(6-bromopyridazin-3-yl)piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[2-[1-[6-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]pyridazin-3-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]isoindole-1,3-dione (PubChem CID 167603342) has the molecular formula C114H123BBr2ClF4N25O14 and a molecular weight of 2349.46 g/mol. Its IUPAC name is 3-bromo-6-chloropyridazine;5-[4-[2-[1-(6-bromopyridazin-3-yl)piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[2-[1-[6-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]pyridazin-3-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 3-bromo-6-chloropyridazine;5-[4-[2-[1-(6-bromopyridazin-3-yl)piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[2-[1-[6-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]pyridazin-3-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]isoindole-1,3-dione
• PubChem CID: 167603342
• Molecular Formula: C114H123BBr2ClF4N25O14
• Molecular Weight: 2349.46 g/mol
• Exact Mass: 2345.78
• IUPAC Name: 3-bromo-6-chloropyridazine;5-[4-[2-[1-(6-bromopyridazin-3-yl)piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[2-[1-[6-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]pyridazin-3-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]isoindole-1,3-dione
• SMILES: CC1(C)OB(c2ccc3c4cnccc4n(C(F)F)c3c2)OC1(C)C.Clc1ccc(Br)nn1.O=C1CCC(N2C(=O)c3ccc(N4CCN(CCC5CCN(c6ccc(-c7ccc8c9cnccc9n(C(F)F)c8c7)nn6)CC5)CC4)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(N4CCN(CCC5CCN(c6ccc(Br)nn6)CC5)CC4)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(N4CCN(CCC5CCNCC5)CC4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C40H39F2N9O4.C28H32BrN7O4.C24H31N5O4.C18H19BF2N2O2.C4H2BrClN2/c41-40(42)50-32-9-13-43-23-30(32)27-3-1-25(21-34(27)50)31-5-7-35(46-45-31)49-15-11-24(12-16-49)10-14-47-17-19-48(20-18-47)26-2-4-28-29(22-26)39(55)51(38(28)54)33-6-8-36(52)44-37(33)53;29-23-4-5-24(32-31-23)35-11-8-18(9-12-35)7-10-33-13-15-34(16-14-33)19-1-2-20-21(17-19)28(40)36(27(20)39)22-3-6-25(37)30-26(22)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;1-17(2)18(3,4)25-19(24-17)11-5-6-12-13-10-22-8-7-14(13)23(16(20)21)15(12)9-11;5-3-1-2-4(6)8-7-3/h1-5,7,9,13,21-24,33,40H,6,8,10-12,14-20H2,(H,44,52,53);1-2,4-5,17-18,22H,3,6-16H2,(H,30,37,38);1-2,15-16,20,25H,3-14H2,(H,26,30,31);5-10,16H,1-4H3;1-2H
• InChIKey: KARBYYGXYKYDFW-UHFFFAOYSA-N
• XLogP: 13.32
• TPSA: 420.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 33
• Rotatable Bonds: 21
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2349.46
LogP ≤ 5	13.32
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-bromo-6-chloropyridazine;5-[4-[2-[1-(6-bromopyridazin-3-yl)piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[2-[1-[6-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]pyridazin-3-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]isoindole-1,3-dione (CID 167603342) is 3-bromo-6-chloropyridazine;5-[4-[2-[1-(6-bromopyridazin-3-yl)piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[2-[1-[6-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]pyridazin-3-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]isoindole-1,3-dione.

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

The canonical SMILES for 3-bromo-6-chloropyridazine;5-[4-[2-[1-(6-bromopyridazin-3-yl)piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[2-[1-[6-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]pyridazin-3-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]isoindole-1,3-dione is CC1(C)OB(c2ccc3c4cnccc4n(C(F)F)c3c2)OC1(C)C.Clc1ccc(Br)nn1.O=C1CCC(N2C(=O)c3ccc(N4CCN(CCC5CCN(c6ccc(-c7ccc8c9cnccc9n(C(F)F)c8c7)nn6)CC5)CC4)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(N4CCN(CCC5CCN(c6ccc(Br)nn6)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 3-bromo-6-chloropyridazine;5-[4-[2-[1-(6-bromopyridazin-3-yl)piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[2-[1-[6-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]pyridazin-3-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]isoindole-1,3-dione?

The InChIKey is KARBYYGXYKYDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H39F2N9O4.C28H32BrN7O4.C24H31N5O4.C18H19BF2N2O2.C4H2BrClN2/c41-40(42)50-32-9-13-43-23-30(32)27-3-1-25(21-34(27)50)31-5-7-35(46-45-31)49-15-11-24(12-16-49)10-14-47-17-19-48(20-18-47)26-2-4-28-29(22-26)39(55)51(38(28)54)33-6-8-36(52)44-37(33)53;29-23-4-5-24(32-31-23)35-11-8-18(9-12-35)7-10-33-13-15-34(16-14-33)19-1-2-20-21(17-19)28(40)36(27(20)39)22-3-6-25(37)30-26(22)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;1-17(2)18(3,4)25-19(24-17)11-5-6-12-13-10-22-8-7-14(13)23(16(20)21)15(12)9-11;5-3-1-2-4(6)8-7-3/h1-5,7,9,13,21-24,33,40H,6,8,10-12,14-20H2,(H,44,52,53);1-2,4-5,17-18,22H,3,6-16H2,(H,30,37,38);1-2,15-16,20,25H,3-14H2,(H,26,30,31);5-10,16H,1-4H3;1-2H.

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

3-bromo-6-chloropyridazine;5-[4-[2-[1-(6-bromopyridazin-3-yl)piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[2-[1-[6-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]pyridazin-3-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]isoindole-1,3-dione has a molecular weight of 2349.46 g/mol, XLogP of 13.32, 21 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-6-chloropyridazine;5-[4-[2-[1-(6-bromopyridazin-3-yl)piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[2-[1-[6-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]pyridazin-3-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 167603342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).