6-bromo-1-(3-chlorophenyl)-N-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;1-[6-bromo-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methoxyethanone;6-bromo-1-[3-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-chloro-N-ethyl-1-(4-phenylmethoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;6-chloro-1-(2-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-chloro-1-(3-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

C121H110Br3Cl4F5N14O4S2 — CID 159935247

About 6-bromo-1-(3-chlorophenyl)-N-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;1-[6-bromo-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methoxyethanone;6-bromo-1-[3-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-chloro-N-ethyl-1-(4-phenylmethoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;6-chloro-1-(2-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-chloro-1-(3-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

6-bromo-1-(3-chlorophenyl)-N-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;1-[6-bromo-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methoxyethanone;6-bromo-1-[3-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-chloro-N-ethyl-1-(4-phenylmethoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;6-chloro-1-(2-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-chloro-1-(3-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (PubChem CID 159935247) has the molecular formula C121H110Br3Cl4F5N14O4S2 and a molecular weight of 2364.95 g/mol. Its IUPAC name is 6-bromo-1-(3-chlorophenyl)-N-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;1-[6-bromo-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methoxyethanone;6-bromo-1-[3-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-chloro-N-ethyl-1-(4-phenylmethoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;6-chloro-1-(2-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-chloro-1-(3-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole.

Molecular Properties

• Compound Name: 6-bromo-1-(3-chlorophenyl)-N-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;1-[6-bromo-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methoxyethanone;6-bromo-1-[3-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-chloro-N-ethyl-1-(4-phenylmethoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;6-chloro-1-(2-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-chloro-1-(3-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
• PubChem CID: 159935247
• Molecular Formula: C121H110Br3Cl4F5N14O4S2
• Molecular Weight: 2364.95 g/mol
• Exact Mass: 2358.45
• IUPAC Name: 6-bromo-1-(3-chlorophenyl)-N-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;1-[6-bromo-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methoxyethanone;6-bromo-1-[3-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-chloro-N-ethyl-1-(4-phenylmethoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;6-chloro-1-(2-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-chloro-1-(3-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
• SMILES: CC(C)NC(=S)N1CCc2c([nH]c3ccc(Br)cc23)C1c1cccc(Cl)c1.CCNC(=S)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(OCc2ccccc2)cc1.COCC(=O)N1CCc2c([nH]c3ccc(Br)cc23)C1c1ccc(OC)cc1.FC(F)(F)c1cccc(C2NCCc3c2[nH]c2ccc(Br)cc32)c1.Fc1cccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c1.Fc1ccccc1C1NCCc2c1[nH]c1ccc(Cl)cc21
• InChI: InChI=1S/C27H26ClN3OS.C21H21BrClN3S.C21H21BrN2O3.C18H14BrF3N2.2C17H14ClFN2/c1-2-29-27(33)31-15-14-22-23-16-20(28)10-13-24(23)30-25(22)26(31)19-8-11-21(12-9-19)32-17-18-6-4-3-5-7-18;1-12(2)24-21(27)26-9-8-16-17-11-14(22)6-7-18(17)25-19(16)20(26)13-4-3-5-15(23)10-13;1-26-12-19(25)24-10-9-16-17-11-14(22)5-8-18(17)23-20(16)21(24)13-3-6-15(27-2)7-4-13;19-12-4-5-15-14(9-12)13-6-7-23-16(17(13)24-15)10-2-1-3-11(8-10)18(20,21)22;18-11-4-5-15-14(9-11)13-6-7-20-16(17(13)21-15)10-2-1-3-12(19)8-10;18-10-5-6-15-13(9-10)11-7-8-20-16(17(11)21-15)12-3-1-2-4-14(12)19/h3-13,16,26,30H,2,14-15,17H2,1H3,(H,29,33);3-7,10-12,20,25H,8-9H2,1-2H3,(H,24,27);3-8,11,21,23H,9-10,12H2,1-2H3;1-5,8-9,16,23-24H,6-7H2;1-5,8-9,16,20-21H,6-7H2;1-6,9,16,20-21H,7-8H2
• InChIKey: OADXTDOMZISJFJ-UHFFFAOYSA-N
• XLogP: 29.69
• TPSA: 209.37 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2364.95
LogP ≤ 5	29.69
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(3-chlorophenyl)-N-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;1-[6-bromo-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methoxyethanone;6-bromo-1-[3-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-chloro-N-ethyl-1-(4-phenylmethoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;6-chloro-1-(2-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-chloro-1-(3-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?

The IUPAC name of 6-bromo-1-(3-chlorophenyl)-N-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;1-[6-bromo-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methoxyethanone;6-bromo-1-[3-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-chloro-N-ethyl-1-(4-phenylmethoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;6-chloro-1-(2-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-chloro-1-(3-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (CID 159935247) is 6-bromo-1-(3-chlorophenyl)-N-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;1-[6-bromo-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methoxyethanone;6-bromo-1-[3-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-chloro-N-ethyl-1-(4-phenylmethoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;6-chloro-1-(2-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-chloro-1-(3-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole.

What is the SMILES notation for 6-bromo-1-(3-chlorophenyl)-N-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;1-[6-bromo-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methoxyethanone;6-bromo-1-[3-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-chloro-N-ethyl-1-(4-phenylmethoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;6-chloro-1-(2-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-chloro-1-(3-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?

The canonical SMILES for 6-bromo-1-(3-chlorophenyl)-N-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;1-[6-bromo-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methoxyethanone;6-bromo-1-[3-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-chloro-N-ethyl-1-(4-phenylmethoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;6-chloro-1-(2-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-chloro-1-(3-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole is CC(C)NC(=S)N1CCc2c([nH]c3ccc(Br)cc23)C1c1cccc(Cl)c1.CCNC(=S)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(OCc2ccccc2)cc1.COCC(=O)N1CCc2c([nH]c3ccc(Br)cc23)C1c1ccc(OC)cc1.FC(F)(F)c1cccc(C2NCCc3c2[nH]c2ccc(Br)cc32)c1.Fc1cccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c1.Fc1ccccc1C1NCCc2c1[nH]c1ccc(Cl)cc21.

What is the InChIKey of 6-bromo-1-(3-chlorophenyl)-N-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;1-[6-bromo-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methoxyethanone;6-bromo-1-[3-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-chloro-N-ethyl-1-(4-phenylmethoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;6-chloro-1-(2-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-chloro-1-(3-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?

The InChIKey is OADXTDOMZISJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN3OS.C21H21BrClN3S.C21H21BrN2O3.C18H14BrF3N2.2C17H14ClFN2/c1-2-29-27(33)31-15-14-22-23-16-20(28)10-13-24(23)30-25(22)26(31)19-8-11-21(12-9-19)32-17-18-6-4-3-5-7-18;1-12(2)24-21(27)26-9-8-16-17-11-14(22)6-7-18(17)25-19(16)20(26)13-4-3-5-15(23)10-13;1-26-12-19(25)24-10-9-16-17-11-14(22)5-8-18(17)23-20(16)21(24)13-3-6-15(27-2)7-4-13;19-12-4-5-15-14(9-12)13-6-7-23-16(17(13)24-15)10-2-1-3-11(8-10)18(20,21)22;18-11-4-5-15-14(9-11)13-6-7-20-16(17(13)21-15)10-2-1-3-12(19)8-10;18-10-5-6-15-13(9-10)11-7-8-20-16(17(11)21-15)12-3-1-2-4-14(12)19/h3-13,16,26,30H,2,14-15,17H2,1H3,(H,29,33);3-7,10-12,20,25H,8-9H2,1-2H3,(H,24,27);3-8,11,21,23H,9-10,12H2,1-2H3;1-5,8-9,16,23-24H,6-7H2;1-5,8-9,16,20-21H,6-7H2;1-6,9,16,20-21H,7-8H2.

What are the key properties of 6-bromo-1-(3-chlorophenyl)-N-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;1-[6-bromo-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methoxyethanone;6-bromo-1-[3-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-chloro-N-ethyl-1-(4-phenylmethoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;6-chloro-1-(2-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-chloro-1-(3-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?

6-bromo-1-(3-chlorophenyl)-N-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;1-[6-bromo-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methoxyethanone;6-bromo-1-[3-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-chloro-N-ethyl-1-(4-phenylmethoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;6-chloro-1-(2-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-chloro-1-(3-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole has a molecular weight of 2364.95 g/mol, XLogP of 29.69, 14 rotatable bonds, 11 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-1-(3-chlorophenyl)-N-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;1-[6-bromo-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methoxyethanone;6-bromo-1-[3-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-chloro-N-ethyl-1-(4-phenylmethoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;6-chloro-1-(2-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-chloro-1-(3-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole is sourced from PubChem (CID 159935247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).