5-bromo-2,3-difluoropyridine;7-bromo-3,5-dimethylpyrido[4,3-b]indole;7-bromo-3-methyl-5H-pyrido[4,3-b]indole;7-(5,6-difluoro-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole;5-[4-[2-[1-[5-(3,5-dimethylpyrido[4,3-b]indol-7-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3,5-dimethyl-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;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C145H156B3Br3F5N23O14 — CID 167670041

About 5-bromo-2,3-difluoropyridine;7-bromo-3,5-dimethylpyrido[4,3-b]indole;7-bromo-3-methyl-5H-pyrido[4,3-b]indole;7-(5,6-difluoro-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole;5-[4-[2-[1-[5-(3,5-dimethylpyrido[4,3-b]indol-7-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3,5-dimethyl-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;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

5-bromo-2,3-difluoropyridine;7-bromo-3,5-dimethylpyrido[4,3-b]indole;7-bromo-3-methyl-5H-pyrido[4,3-b]indole;7-(5,6-difluoro-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole;5-[4-[2-[1-[5-(3,5-dimethylpyrido[4,3-b]indol-7-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3,5-dimethyl-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;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 167670041) has the molecular formula C145H156B3Br3F5N23O14 and a molecular weight of 2812.13 g/mol. Its IUPAC name is 5-bromo-2,3-difluoropyridine;7-bromo-3,5-dimethylpyrido[4,3-b]indole;7-bromo-3-methyl-5H-pyrido[4,3-b]indole;7-(5,6-difluoro-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole;5-[4-[2-[1-[5-(3,5-dimethylpyrido[4,3-b]indol-7-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3,5-dimethyl-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;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 5-bromo-2,3-difluoropyridine;7-bromo-3,5-dimethylpyrido[4,3-b]indole;7-bromo-3-methyl-5H-pyrido[4,3-b]indole;7-(5,6-difluoro-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole;5-[4-[2-[1-[5-(3,5-dimethylpyrido[4,3-b]indol-7-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3,5-dimethyl-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;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 167670041
• Molecular Formula: C145H156B3Br3F5N23O14
• Molecular Weight: 2812.13 g/mol
• Exact Mass: 2808.00
• IUPAC Name: 5-bromo-2,3-difluoropyridine;7-bromo-3,5-dimethylpyrido[4,3-b]indole;7-bromo-3-methyl-5H-pyrido[4,3-b]indole;7-(5,6-difluoro-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole;5-[4-[2-[1-[5-(3,5-dimethylpyrido[4,3-b]indol-7-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3,5-dimethyl-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;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1cc2[nH]c3cc(Br)ccc3c2cn1.Cc1cc2c(cn1)c1ccc(-c3cnc(F)c(F)c3)cc1n2C.Cc1cc2c(cn1)c1ccc(-c3cnc(N4CCC(CCN5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)c(F)c3)cc1n2C.Cc1cc2c(cn1)c1ccc(B3OC(C)(C)C(C)(C)O3)cc1n2C.Cc1cc2c(cn1)c1ccc(Br)cc1n2C.Fc1cc(Br)cnc1F.O=C1CCC(N2C(=O)c3ccc(N4CCN(CCC5CCNCC5)CC4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C42H43FN8O4.C24H31N5O4.C19H23BN2O2.C18H13F2N3.C13H11BrN2.C12H24B2O4.C12H9BrN2.C5H2BrF2N/c1-25-19-36-33(24-44-25)30-5-3-27(21-37(30)47(36)2)28-20-34(43)39(45-23-28)50-13-10-26(11-14-50)9-12-48-15-17-49(18-16-48)29-4-6-31-32(22-29)42(55)51(41(31)54)35-7-8-38(52)46-40(35)53;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;1-12-9-16-15(11-21-12)14-8-7-13(10-17(14)22(16)6)20-23-18(2,3)19(4,5)24-20;1-10-5-16-14(9-21-10)13-4-3-11(7-17(13)23(16)2)12-6-15(19)18(20)22-8-12;1-8-5-12-11(7-15-8)10-4-3-9(14)6-13(10)16(12)2;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-7-4-11-10(6-14-7)9-3-2-8(13)5-12(9)15-11;6-3-1-4(7)5(8)9-2-3/h3-6,19-24,26,35H,7-18H2,1-2H3,(H,46,52,53);1-2,15-16,20,25H,3-14H2,(H,26,30,31);7-11H,1-6H3;3-9H,1-2H3;3-7H,1-2H3;1-8H3;2-6,15H,1H3;1-2H
• InChIKey: TYVUPIQXCJXOLW-UHFFFAOYSA-N
• XLogP: 25.33
• TPSA: 389.34 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 15
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2812.13
LogP ≤ 5	25.33
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	32

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-2,3-difluoropyridine;7-bromo-3,5-dimethylpyrido[4,3-b]indole;7-bromo-3-methyl-5H-pyrido[4,3-b]indole;7-(5,6-difluoro-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole;5-[4-[2-[1-[5-(3,5-dimethylpyrido[4,3-b]indol-7-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3,5-dimethyl-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;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 5-bromo-2,3-difluoropyridine;7-bromo-3,5-dimethylpyrido[4,3-b]indole;7-bromo-3-methyl-5H-pyrido[4,3-b]indole;7-(5,6-difluoro-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole;5-[4-[2-[1-[5-(3,5-dimethylpyrido[4,3-b]indol-7-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3,5-dimethyl-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;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 167670041) is 5-bromo-2,3-difluoropyridine;7-bromo-3,5-dimethylpyrido[4,3-b]indole;7-bromo-3-methyl-5H-pyrido[4,3-b]indole;7-(5,6-difluoro-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole;5-[4-[2-[1-[5-(3,5-dimethylpyrido[4,3-b]indol-7-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3,5-dimethyl-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;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 5-bromo-2,3-difluoropyridine;7-bromo-3,5-dimethylpyrido[4,3-b]indole;7-bromo-3-methyl-5H-pyrido[4,3-b]indole;7-(5,6-difluoro-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole;5-[4-[2-[1-[5-(3,5-dimethylpyrido[4,3-b]indol-7-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3,5-dimethyl-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;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 5-bromo-2,3-difluoropyridine;7-bromo-3,5-dimethylpyrido[4,3-b]indole;7-bromo-3-methyl-5H-pyrido[4,3-b]indole;7-(5,6-difluoro-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole;5-[4-[2-[1-[5-(3,5-dimethylpyrido[4,3-b]indol-7-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3,5-dimethyl-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;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1cc2[nH]c3cc(Br)ccc3c2cn1.Cc1cc2c(cn1)c1ccc(-c3cnc(F)c(F)c3)cc1n2C.Cc1cc2c(cn1)c1ccc(-c3cnc(N4CCC(CCN5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)c(F)c3)cc1n2C.Cc1cc2c(cn1)c1ccc(B3OC(C)(C)C(C)(C)O3)cc1n2C.Cc1cc2c(cn1)c1ccc(Br)cc1n2C.Fc1cc(Br)cnc1F.O=C1CCC(N2C(=O)c3ccc(N4CCN(CCC5CCNCC5)CC4)cc3C2=O)C(=O)N1.

What is the InChIKey of 5-bromo-2,3-difluoropyridine;7-bromo-3,5-dimethylpyrido[4,3-b]indole;7-bromo-3-methyl-5H-pyrido[4,3-b]indole;7-(5,6-difluoro-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole;5-[4-[2-[1-[5-(3,5-dimethylpyrido[4,3-b]indol-7-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3,5-dimethyl-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;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is TYVUPIQXCJXOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H43FN8O4.C24H31N5O4.C19H23BN2O2.C18H13F2N3.C13H11BrN2.C12H24B2O4.C12H9BrN2.C5H2BrF2N/c1-25-19-36-33(24-44-25)30-5-3-27(21-37(30)47(36)2)28-20-34(43)39(45-23-28)50-13-10-26(11-14-50)9-12-48-15-17-49(18-16-48)29-4-6-31-32(22-29)42(55)51(41(31)54)35-7-8-38(52)46-40(35)53;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;1-12-9-16-15(11-21-12)14-8-7-13(10-17(14)22(16)6)20-23-18(2,3)19(4,5)24-20;1-10-5-16-14(9-21-10)13-4-3-11(7-17(13)23(16)2)12-6-15(19)18(20)22-8-12;1-8-5-12-11(7-15-8)10-4-3-9(14)6-13(10)16(12)2;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-7-4-11-10(6-14-7)9-3-2-8(13)5-12(9)15-11;6-3-1-4(7)5(8)9-2-3/h3-6,19-24,26,35H,7-18H2,1-2H3,(H,46,52,53);1-2,15-16,20,25H,3-14H2,(H,26,30,31);7-11H,1-6H3;3-9H,1-2H3;3-7H,1-2H3;1-8H3;2-6,15H,1H3;1-2H.

What are the key properties of 5-bromo-2,3-difluoropyridine;7-bromo-3,5-dimethylpyrido[4,3-b]indole;7-bromo-3-methyl-5H-pyrido[4,3-b]indole;7-(5,6-difluoro-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole;5-[4-[2-[1-[5-(3,5-dimethylpyrido[4,3-b]indol-7-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3,5-dimethyl-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;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

5-bromo-2,3-difluoropyridine;7-bromo-3,5-dimethylpyrido[4,3-b]indole;7-bromo-3-methyl-5H-pyrido[4,3-b]indole;7-(5,6-difluoro-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole;5-[4-[2-[1-[5-(3,5-dimethylpyrido[4,3-b]indol-7-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3,5-dimethyl-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;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 2812.13 g/mol, XLogP of 25.33, 15 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2,3-difluoropyridine;7-bromo-3,5-dimethylpyrido[4,3-b]indole;7-bromo-3-methyl-5H-pyrido[4,3-b]indole;7-(5,6-difluoro-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole;5-[4-[2-[1-[5-(3,5-dimethylpyrido[4,3-b]indol-7-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3,5-dimethyl-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;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 167670041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).