2-(4-aminocyclohexyl)ethanol;5-bromo-2,3-difluoropyridine;2-[4-[(5-bromo-3-fluoro-2-pyridinyl)amino]cyclohexyl]acetaldehyde;2-[4-[(5-bromo-3-fluoro-2-pyridinyl)amino]cyclohexyl]ethanol;5-[4-[2-[4-[(5-bromo-3-fluoro-2-pyridinyl)amino]cyclohexyl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[[3-fluoro-5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]amino]cyclohexyl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole

C146H169BBr4F6N26O17 — CID 167568697

About 2-(4-aminocyclohexyl)ethanol;5-bromo-2,3-difluoropyridine;2-[4-[(5-bromo-3-fluoro-2-pyridinyl)amino]cyclohexyl]acetaldehyde;2-[4-[(5-bromo-3-fluoro-2-pyridinyl)amino]cyclohexyl]ethanol;5-[4-[2-[4-[(5-bromo-3-fluoro-2-pyridinyl)amino]cyclohexyl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[[3-fluoro-5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]amino]cyclohexyl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole

2-(4-aminocyclohexyl)ethanol;5-bromo-2,3-difluoropyridine;2-[4-[(5-bromo-3-fluoro-2-pyridinyl)amino]cyclohexyl]acetaldehyde;2-[4-[(5-bromo-3-fluoro-2-pyridinyl)amino]cyclohexyl]ethanol;5-[4-[2-[4-[(5-bromo-3-fluoro-2-pyridinyl)amino]cyclohexyl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[[3-fluoro-5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]amino]cyclohexyl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole (PubChem CID 167568697) has the molecular formula C146H169BBr4F6N26O17 and a molecular weight of 3004.54 g/mol. Its IUPAC name is 2-(4-aminocyclohexyl)ethanol;5-bromo-2,3-difluoropyridine;2-[4-[(5-bromo-3-fluoro-2-pyridinyl)amino]cyclohexyl]acetaldehyde;2-[4-[(5-bromo-3-fluoro-2-pyridinyl)amino]cyclohexyl]ethanol;5-[4-[2-[4-[(5-bromo-3-fluoro-2-pyridinyl)amino]cyclohexyl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[[3-fluoro-5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]amino]cyclohexyl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 2-(4-aminocyclohexyl)ethanol;5-bromo-2,3-difluoropyridine;2-[4-[(5-bromo-3-fluoro-2-pyridinyl)amino]cyclohexyl]acetaldehyde;2-[4-[(5-bromo-3-fluoro-2-pyridinyl)amino]cyclohexyl]ethanol;5-[4-[2-[4-[(5-bromo-3-fluoro-2-pyridinyl)amino]cyclohexyl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[[3-fluoro-5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]amino]cyclohexyl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole
• PubChem CID: 167568697
• Molecular Formula: C146H169BBr4F6N26O17
• Molecular Weight: 3004.54 g/mol
• Exact Mass: 2998.99
• IUPAC Name: 2-(4-aminocyclohexyl)ethanol;5-bromo-2,3-difluoropyridine;2-[4-[(5-bromo-3-fluoro-2-pyridinyl)amino]cyclohexyl]acetaldehyde;2-[4-[(5-bromo-3-fluoro-2-pyridinyl)amino]cyclohexyl]ethanol;5-[4-[2-[4-[(5-bromo-3-fluoro-2-pyridinyl)amino]cyclohexyl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[[3-fluoro-5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]amino]cyclohexyl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole
• SMILES: Cn1c2ccncc2c2ccc(-c3cnc(NC4CCC(CCN5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)c(F)c3)cc21.Cn1c2ccncc2c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.Fc1cc(Br)cnc1F.NC1CCC(CCO)CC1.O=C1CCC(N2C(=O)c3ccc(N4CCN(CCC5CCC(Nc6ncc(Br)cc6F)CC5)CC4)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(N4CCNCC4)cc3C2=O)C(=O)N1.O=CCC1CCC(Nc2ncc(Br)cc2F)CC1.OCCC1CCC(Nc2ncc(Br)cc2F)CC1
• InChI: InChI=1S/C42H43FN8O4.C30H34BrFN6O4.C18H21BN2O2.C17H18N4O4.C13H18BrFN2O.C13H16BrFN2O.C8H17NO.C5H2BrF2N/c1-48-35-12-14-44-24-33(35)30-8-4-26(21-37(30)48)27-20-34(43)39(45-23-27)46-28-5-2-25(3-6-28)13-15-49-16-18-50(19-17-49)29-7-9-31-32(22-29)42(55)51(41(31)54)36-10-11-38(52)47-40(36)53;31-19-15-24(32)27(33-17-19)34-20-3-1-18(2-4-20)9-10-36-11-13-37(14-12-36)21-5-6-22-23(16-21)30(42)38(29(22)41)25-7-8-26(39)35-28(25)40;1-17(2)18(3,4)23-19(22-17)12-6-7-13-14-11-20-9-8-15(14)21(5)16(13)10-12;22-14-4-3-13(15(23)19-14)21-16(24)11-2-1-10(9-12(11)17(21)25)20-7-5-18-6-8-20;2*14-10-7-12(15)13(16-8-10)17-11-3-1-9(2-4-11)5-6-18;9-8-3-1-7(2-4-8)5-6-10;6-3-1-4(7)5(8)9-2-3/h4,7-9,12,14,20-25,28,36H,2-3,5-6,10-11,13,15-19H2,1H3,(H,45,46)(H,47,52,53);5-6,15-18,20,25H,1-4,7-14H2,(H,33,34)(H,35,39,40);6-11H,1-5H3;1-2,9,13,18H,3-8H2,(H,19,22,23);7-9,11,18H,1-6H2,(H,16,17);6-9,11H,1-5H2,(H,16,17);7-8,10H,1-6,9H2;1-2H
• InChIKey: FPNVDJWWFRUJDU-UHFFFAOYSA-N
• XLogP: 21.49
• TPSA: 529.10 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 37
• Rotatable Bonds: 28
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3004.54
LogP ≤ 5	21.49
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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 2-(4-aminocyclohexyl)ethanol;5-bromo-2,3-difluoropyridine;2-[4-[(5-bromo-3-fluoro-2-pyridinyl)amino]cyclohexyl]acetaldehyde;2-[4-[(5-bromo-3-fluoro-2-pyridinyl)amino]cyclohexyl]ethanol;5-[4-[2-[4-[(5-bromo-3-fluoro-2-pyridinyl)amino]cyclohexyl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[[3-fluoro-5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]amino]cyclohexyl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole?

The IUPAC name of 2-(4-aminocyclohexyl)ethanol;5-bromo-2,3-difluoropyridine;2-[4-[(5-bromo-3-fluoro-2-pyridinyl)amino]cyclohexyl]acetaldehyde;2-[4-[(5-bromo-3-fluoro-2-pyridinyl)amino]cyclohexyl]ethanol;5-[4-[2-[4-[(5-bromo-3-fluoro-2-pyridinyl)amino]cyclohexyl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[[3-fluoro-5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]amino]cyclohexyl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole (CID 167568697) is 2-(4-aminocyclohexyl)ethanol;5-bromo-2,3-difluoropyridine;2-[4-[(5-bromo-3-fluoro-2-pyridinyl)amino]cyclohexyl]acetaldehyde;2-[4-[(5-bromo-3-fluoro-2-pyridinyl)amino]cyclohexyl]ethanol;5-[4-[2-[4-[(5-bromo-3-fluoro-2-pyridinyl)amino]cyclohexyl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[[3-fluoro-5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]amino]cyclohexyl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole.

What is the SMILES notation for 2-(4-aminocyclohexyl)ethanol;5-bromo-2,3-difluoropyridine;2-[4-[(5-bromo-3-fluoro-2-pyridinyl)amino]cyclohexyl]acetaldehyde;2-[4-[(5-bromo-3-fluoro-2-pyridinyl)amino]cyclohexyl]ethanol;5-[4-[2-[4-[(5-bromo-3-fluoro-2-pyridinyl)amino]cyclohexyl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[[3-fluoro-5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]amino]cyclohexyl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole?

The canonical SMILES for 2-(4-aminocyclohexyl)ethanol;5-bromo-2,3-difluoropyridine;2-[4-[(5-bromo-3-fluoro-2-pyridinyl)amino]cyclohexyl]acetaldehyde;2-[4-[(5-bromo-3-fluoro-2-pyridinyl)amino]cyclohexyl]ethanol;5-[4-[2-[4-[(5-bromo-3-fluoro-2-pyridinyl)amino]cyclohexyl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[[3-fluoro-5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]amino]cyclohexyl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole is Cn1c2ccncc2c2ccc(-c3cnc(NC4CCC(CCN5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)c(F)c3)cc21.Cn1c2ccncc2c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.Fc1cc(Br)cnc1F.NC1CCC(CCO)CC1.O=C1CCC(N2C(=O)c3ccc(N4CCN(CCC5CCC(Nc6ncc(Br)cc6F)CC5)CC4)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(N4CCNCC4)cc3C2=O)C(=O)N1.O=CCC1CCC(Nc2ncc(Br)cc2F)CC1.OCCC1CCC(Nc2ncc(Br)cc2F)CC1.

What is the InChIKey of 2-(4-aminocyclohexyl)ethanol;5-bromo-2,3-difluoropyridine;2-[4-[(5-bromo-3-fluoro-2-pyridinyl)amino]cyclohexyl]acetaldehyde;2-[4-[(5-bromo-3-fluoro-2-pyridinyl)amino]cyclohexyl]ethanol;5-[4-[2-[4-[(5-bromo-3-fluoro-2-pyridinyl)amino]cyclohexyl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[[3-fluoro-5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]amino]cyclohexyl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole?

The InChIKey is FPNVDJWWFRUJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H43FN8O4.C30H34BrFN6O4.C18H21BN2O2.C17H18N4O4.C13H18BrFN2O.C13H16BrFN2O.C8H17NO.C5H2BrF2N/c1-48-35-12-14-44-24-33(35)30-8-4-26(21-37(30)48)27-20-34(43)39(45-23-27)46-28-5-2-25(3-6-28)13-15-49-16-18-50(19-17-49)29-7-9-31-32(22-29)42(55)51(41(31)54)36-10-11-38(52)47-40(36)53;31-19-15-24(32)27(33-17-19)34-20-3-1-18(2-4-20)9-10-36-11-13-37(14-12-36)21-5-6-22-23(16-21)30(42)38(29(22)41)25-7-8-26(39)35-28(25)40;1-17(2)18(3,4)23-19(22-17)12-6-7-13-14-11-20-9-8-15(14)21(5)16(13)10-12;22-14-4-3-13(15(23)19-14)21-16(24)11-2-1-10(9-12(11)17(21)25)20-7-5-18-6-8-20;2*14-10-7-12(15)13(16-8-10)17-11-3-1-9(2-4-11)5-6-18;9-8-3-1-7(2-4-8)5-6-10;6-3-1-4(7)5(8)9-2-3/h4,7-9,12,14,20-25,28,36H,2-3,5-6,10-11,13,15-19H2,1H3,(H,45,46)(H,47,52,53);5-6,15-18,20,25H,1-4,7-14H2,(H,33,34)(H,35,39,40);6-11H,1-5H3;1-2,9,13,18H,3-8H2,(H,19,22,23);7-9,11,18H,1-6H2,(H,16,17);6-9,11H,1-5H2,(H,16,17);7-8,10H,1-6,9H2;1-2H.

What are the key properties of 2-(4-aminocyclohexyl)ethanol;5-bromo-2,3-difluoropyridine;2-[4-[(5-bromo-3-fluoro-2-pyridinyl)amino]cyclohexyl]acetaldehyde;2-[4-[(5-bromo-3-fluoro-2-pyridinyl)amino]cyclohexyl]ethanol;5-[4-[2-[4-[(5-bromo-3-fluoro-2-pyridinyl)amino]cyclohexyl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[[3-fluoro-5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]amino]cyclohexyl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole?

2-(4-aminocyclohexyl)ethanol;5-bromo-2,3-difluoropyridine;2-[4-[(5-bromo-3-fluoro-2-pyridinyl)amino]cyclohexyl]acetaldehyde;2-[4-[(5-bromo-3-fluoro-2-pyridinyl)amino]cyclohexyl]ethanol;5-[4-[2-[4-[(5-bromo-3-fluoro-2-pyridinyl)amino]cyclohexyl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[[3-fluoro-5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]amino]cyclohexyl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole has a molecular weight of 3004.54 g/mol, XLogP of 21.49, 28 rotatable bonds, 11 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-aminocyclohexyl)ethanol;5-bromo-2,3-difluoropyridine;2-[4-[(5-bromo-3-fluoro-2-pyridinyl)amino]cyclohexyl]acetaldehyde;2-[4-[(5-bromo-3-fluoro-2-pyridinyl)amino]cyclohexyl]ethanol;5-[4-[2-[4-[(5-bromo-3-fluoro-2-pyridinyl)amino]cyclohexyl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[[3-fluoro-5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]amino]cyclohexyl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole is sourced from PubChem (CID 167568697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).