7-bromo-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]boronic acid;7-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[4-[2-[1-[3-fluoro-5-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-piperazin-1-ylisoindole-1,3-dione;2-[1-[3-fluoro-5-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]acetaldehyde

C134H156BBrF6N24O15 — CID 167630302

About 7-bromo-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]boronic acid;7-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[4-[2-[1-[3-fluoro-5-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-piperazin-1-ylisoindole-1,3-dione;2-[1-[3-fluoro-5-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]acetaldehyde

7-bromo-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]boronic acid;7-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[4-[2-[1-[3-fluoro-5-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-piperazin-1-ylisoindole-1,3-dione;2-[1-[3-fluoro-5-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]acetaldehyde (PubChem CID 167630302) has the molecular formula C134H156BBrF6N24O15 and a molecular weight of 2547.58 g/mol. Its IUPAC name is 7-bromo-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]boronic acid;7-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[4-[2-[1-[3-fluoro-5-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-piperazin-1-ylisoindole-1,3-dione;2-[1-[3-fluoro-5-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]acetaldehyde.

Molecular Properties

• Compound Name: 7-bromo-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]boronic acid;7-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[4-[2-[1-[3-fluoro-5-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-piperazin-1-ylisoindole-1,3-dione;2-[1-[3-fluoro-5-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]acetaldehyde
• PubChem CID: 167630302
• Molecular Formula: C134H156BBrF6N24O15
• Molecular Weight: 2547.58 g/mol
• Exact Mass: 2545.14
• IUPAC Name: 7-bromo-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]boronic acid;7-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[4-[2-[1-[3-fluoro-5-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-piperazin-1-ylisoindole-1,3-dione;2-[1-[3-fluoro-5-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]acetaldehyde
• SMILES: CN1CCc2[nH]c3cc(-c4cnc(N5CCC(CC=O)CC5)c(F)c4)ccc3c2C1.CN1CCc2[nH]c3cc(-c4cnc(N5CCC(CCN6CCN(c7cc8c(cc7F)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)c(F)c4)ccc3c2C1.CN1CCc2[nH]c3cc(Br)ccc3c2C1.COC(CC1CCN(c2ncc(-c3ccc4c5c([nH]c4c3)CCN(C)C5)cc2F)CC1)OC.COC(CC1CCN(c2ncc(B(O)O)cc2F)CC1)OC.O=C1CCC(N2C(=O)c3cc(F)c(N4CCNCC4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C41H44F2N8O4.C26H33FN4O2.C24H27FN4O.C17H17FN4O4.C14H22BFN2O4.C12H13BrN2/c1-47-10-9-33-30(23-47)27-3-2-25(19-34(27)45-33)26-18-32(43)38(44-22-26)50-12-7-24(8-13-50)6-11-48-14-16-49(17-15-48)36-21-29-28(20-31(36)42)40(54)51(41(29)55)35-4-5-37(52)46-39(35)53;1-30-9-8-23-21(16-30)20-5-4-18(14-24(20)29-23)19-13-22(27)26(28-15-19)31-10-6-17(7-11-31)12-25(32-2)33-3;1-28-8-6-22-20(15-28)19-3-2-17(13-23(19)27-22)18-12-21(25)24(26-14-18)29-9-4-16(5-10-29)7-11-30;18-11-7-9-10(8-13(11)21-5-3-19-4-6-21)17(26)22(16(9)25)12-1-2-14(23)20-15(12)24;1-21-13(22-2)7-10-3-5-18(6-4-10)14-12(16)8-11(9-17-14)15(19)20;1-15-5-4-11-10(7-15)9-3-2-8(13)6-12(9)14-11/h2-3,18-22,24,35,45H,4-17,23H2,1H3,(H,46,52,53);4-5,13-15,17,25,29H,6-12,16H2,1-3H3;2-3,11-14,16,27H,4-10,15H2,1H3;7-8,12,19H,1-6H2,(H,20,23,24);8-10,13,19-20H,3-7H2,1-2H3;2-3,6,14H,4-5,7H2,1H3
• InChIKey: NRQLBRIHRZKESM-UHFFFAOYSA-N
• XLogP: 15.75
• TPSA: 423.94 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 31
• Rotatable Bonds: 25
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2547.58
LogP ≤ 5	15.75
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]boronic acid;7-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[4-[2-[1-[3-fluoro-5-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-piperazin-1-ylisoindole-1,3-dione;2-[1-[3-fluoro-5-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]acetaldehyde?

The IUPAC name of 7-bromo-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]boronic acid;7-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[4-[2-[1-[3-fluoro-5-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-piperazin-1-ylisoindole-1,3-dione;2-[1-[3-fluoro-5-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]acetaldehyde (CID 167630302) is 7-bromo-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]boronic acid;7-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[4-[2-[1-[3-fluoro-5-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-piperazin-1-ylisoindole-1,3-dione;2-[1-[3-fluoro-5-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]acetaldehyde.

What is the SMILES notation for 7-bromo-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]boronic acid;7-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[4-[2-[1-[3-fluoro-5-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-piperazin-1-ylisoindole-1,3-dione;2-[1-[3-fluoro-5-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]acetaldehyde?

The canonical SMILES for 7-bromo-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]boronic acid;7-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[4-[2-[1-[3-fluoro-5-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-piperazin-1-ylisoindole-1,3-dione;2-[1-[3-fluoro-5-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]acetaldehyde is CN1CCc2[nH]c3cc(-c4cnc(N5CCC(CC=O)CC5)c(F)c4)ccc3c2C1.CN1CCc2[nH]c3cc(-c4cnc(N5CCC(CCN6CCN(c7cc8c(cc7F)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)c(F)c4)ccc3c2C1.CN1CCc2[nH]c3cc(Br)ccc3c2C1.COC(CC1CCN(c2ncc(-c3ccc4c5c([nH]c4c3)CCN(C)C5)cc2F)CC1)OC.COC(CC1CCN(c2ncc(B(O)O)cc2F)CC1)OC.O=C1CCC(N2C(=O)c3cc(F)c(N4CCNCC4)cc3C2=O)C(=O)N1.

What is the InChIKey of 7-bromo-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]boronic acid;7-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[4-[2-[1-[3-fluoro-5-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-piperazin-1-ylisoindole-1,3-dione;2-[1-[3-fluoro-5-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]acetaldehyde?

The InChIKey is NRQLBRIHRZKESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H44F2N8O4.C26H33FN4O2.C24H27FN4O.C17H17FN4O4.C14H22BFN2O4.C12H13BrN2/c1-47-10-9-33-30(23-47)27-3-2-25(19-34(27)45-33)26-18-32(43)38(44-22-26)50-12-7-24(8-13-50)6-11-48-14-16-49(17-15-48)36-21-29-28(20-31(36)42)40(54)51(41(29)55)35-4-5-37(52)46-39(35)53;1-30-9-8-23-21(16-30)20-5-4-18(14-24(20)29-23)19-13-22(27)26(28-15-19)31-10-6-17(7-11-31)12-25(32-2)33-3;1-28-8-6-22-20(15-28)19-3-2-17(13-23(19)27-22)18-12-21(25)24(26-14-18)29-9-4-16(5-10-29)7-11-30;18-11-7-9-10(8-13(11)21-5-3-19-4-6-21)17(26)22(16(9)25)12-1-2-14(23)20-15(12)24;1-21-13(22-2)7-10-3-5-18(6-4-10)14-12(16)8-11(9-17-14)15(19)20;1-15-5-4-11-10(7-15)9-3-2-8(13)6-12(9)14-11/h2-3,18-22,24,35,45H,4-17,23H2,1H3,(H,46,52,53);4-5,13-15,17,25,29H,6-12,16H2,1-3H3;2-3,11-14,16,27H,4-10,15H2,1H3;7-8,12,19H,1-6H2,(H,20,23,24);8-10,13,19-20H,3-7H2,1-2H3;2-3,6,14H,4-5,7H2,1H3.

What are the key properties of 7-bromo-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]boronic acid;7-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[4-[2-[1-[3-fluoro-5-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-piperazin-1-ylisoindole-1,3-dione;2-[1-[3-fluoro-5-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]acetaldehyde?

7-bromo-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]boronic acid;7-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[4-[2-[1-[3-fluoro-5-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-piperazin-1-ylisoindole-1,3-dione;2-[1-[3-fluoro-5-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]acetaldehyde has a molecular weight of 2547.58 g/mol, XLogP of 15.75, 25 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]boronic acid;7-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[4-[2-[1-[3-fluoro-5-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-piperazin-1-ylisoindole-1,3-dione;2-[1-[3-fluoro-5-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]acetaldehyde is sourced from PubChem (CID 167630302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).