2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-pyridin-3-yl-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-pyridin-4-yl-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-thiophen-3-yl-1,3-thiazole;(2-oxocyclopentyl) 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboximidothioate

C129H110Cl5N17O7S6 — CID 159525942

About 2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-pyridin-3-yl-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-pyridin-4-yl-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-thiophen-3-yl-1,3-thiazole;(2-oxocyclopentyl) 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboximidothioate

2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-pyridin-3-yl-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-pyridin-4-yl-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-thiophen-3-yl-1,3-thiazole;(2-oxocyclopentyl) 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboximidothioate (PubChem CID 159525942) has the molecular formula C129H110Cl5N17O7S6 and a molecular weight of 2380.08 g/mol. Its IUPAC name is 2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-pyridin-3-yl-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-pyridin-4-yl-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-thiophen-3-yl-1,3-thiazole;(2-oxocyclopentyl) 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboximidothioate.

Molecular Properties

• Compound Name: 2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-pyridin-3-yl-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-pyridin-4-yl-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-thiophen-3-yl-1,3-thiazole;(2-oxocyclopentyl) 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboximidothioate
• PubChem CID: 159525942
• Molecular Formula: C129H110Cl5N17O7S6
• Molecular Weight: 2380.08 g/mol
• Exact Mass: 2375.55
• IUPAC Name: 2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-pyridin-3-yl-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-pyridin-4-yl-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-thiophen-3-yl-1,3-thiazole;(2-oxocyclopentyl) 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboximidothioate
• SMILES: COc1ccc(-c2csc(N3CCc4c([nH]c5ccc(Cl)cc45)C3c3ccc(OC)cc3)n2)cc1.COc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2c2nc(-c3cccnc3)cs2)cc1.COc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2c2nc(-c3ccncc3)cs2)cc1.COc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2c2nc(-c3ccsc3)cs2)cc1.[H]/N=C(\SC1CCCC1=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(OC)cc1
• InChI: InChI=1S/C28H24ClN3O2S.2C26H21ClN4OS.C25H20ClN3OS2.C24H24ClN3O2S/c1-33-20-8-3-17(4-9-20)25-16-35-28(31-25)32-14-13-22-23-15-19(29)7-12-24(23)30-26(22)27(32)18-5-10-21(34-2)11-6-18;1-32-19-5-2-17(3-6-19)25-24-20(21-14-18(27)4-7-22(21)29-24)10-13-31(25)26-30-23(15-33-26)16-8-11-28-12-9-16;1-32-19-7-4-16(5-8-19)25-24-20(21-13-18(27)6-9-22(21)29-24)10-12-31(25)26-30-23(15-33-26)17-3-2-11-28-14-17;1-30-18-5-2-15(3-6-18)24-23-19(20-12-17(26)4-7-21(20)27-23)8-10-29(24)25-28-22(14-32-25)16-9-11-31-13-16;1-30-16-8-5-14(6-9-16)23-22-17(18-13-15(25)7-10-19(18)27-22)11-12-28(23)24(26)31-21-4-2-3-20(21)29/h3-12,15-16,27,30H,13-14H2,1-2H3;2-9,11-12,14-15,25,29H,10,13H2,1H3;2-9,11,13-15,25,29H,10,12H2,1H3;2-7,9,11-14,24,27H,8,10H2,1H3;5-10,13,21,23,26-27H,2-4,11-12H2,1H3/b;;;;26-24-
• InChIKey: MCJPRJVKYRKQQF-AVEHQRMCSA-N
• XLogP: 32.85
• TPSA: 268.79 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 20
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2380.08
LogP ≤ 5	32.85
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-pyridin-3-yl-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-pyridin-4-yl-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-thiophen-3-yl-1,3-thiazole;(2-oxocyclopentyl) 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboximidothioate?

The IUPAC name of 2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-pyridin-3-yl-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-pyridin-4-yl-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-thiophen-3-yl-1,3-thiazole;(2-oxocyclopentyl) 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboximidothioate (CID 159525942) is 2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-pyridin-3-yl-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-pyridin-4-yl-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-thiophen-3-yl-1,3-thiazole;(2-oxocyclopentyl) 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboximidothioate.

What is the SMILES notation for 2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-pyridin-3-yl-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-pyridin-4-yl-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-thiophen-3-yl-1,3-thiazole;(2-oxocyclopentyl) 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboximidothioate?

The canonical SMILES for 2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-pyridin-3-yl-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-pyridin-4-yl-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-thiophen-3-yl-1,3-thiazole;(2-oxocyclopentyl) 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboximidothioate is COc1ccc(-c2csc(N3CCc4c([nH]c5ccc(Cl)cc45)C3c3ccc(OC)cc3)n2)cc1.COc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2c2nc(-c3cccnc3)cs2)cc1.COc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2c2nc(-c3ccncc3)cs2)cc1.COc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2c2nc(-c3ccsc3)cs2)cc1.[H]/N=C(\SC1CCCC1=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(OC)cc1.

What is the InChIKey of 2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-pyridin-3-yl-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-pyridin-4-yl-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-thiophen-3-yl-1,3-thiazole;(2-oxocyclopentyl) 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboximidothioate?

The InChIKey is MCJPRJVKYRKQQF-AVEHQRMCSA-N. The full InChI is InChI=1S/C28H24ClN3O2S.2C26H21ClN4OS.C25H20ClN3OS2.C24H24ClN3O2S/c1-33-20-8-3-17(4-9-20)25-16-35-28(31-25)32-14-13-22-23-15-19(29)7-12-24(23)30-26(22)27(32)18-5-10-21(34-2)11-6-18;1-32-19-5-2-17(3-6-19)25-24-20(21-14-18(27)4-7-22(21)29-24)10-13-31(25)26-30-23(15-33-26)16-8-11-28-12-9-16;1-32-19-7-4-16(5-8-19)25-24-20(21-13-18(27)6-9-22(21)29-24)10-12-31(25)26-30-23(15-33-26)17-3-2-11-28-14-17;1-30-18-5-2-15(3-6-18)24-23-19(20-12-17(26)4-7-21(20)27-23)8-10-29(24)25-28-22(14-32-25)16-9-11-31-13-16;1-30-16-8-5-14(6-9-16)23-22-17(18-13-15(25)7-10-19(18)27-22)11-12-28(23)24(26)31-21-4-2-3-20(21)29/h3-12,15-16,27,30H,13-14H2,1-2H3;2-9,11-12,14-15,25,29H,10,13H2,1H3;2-9,11,13-15,25,29H,10,12H2,1H3;2-7,9,11-14,24,27H,8,10H2,1H3;5-10,13,21,23,26-27H,2-4,11-12H2,1H3/b;;;;26-24-.

What are the key properties of 2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-pyridin-3-yl-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-pyridin-4-yl-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-thiophen-3-yl-1,3-thiazole;(2-oxocyclopentyl) 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboximidothioate?

2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-pyridin-3-yl-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-pyridin-4-yl-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-thiophen-3-yl-1,3-thiazole;(2-oxocyclopentyl) 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboximidothioate has a molecular weight of 2380.08 g/mol, XLogP of 32.85, 20 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-pyridin-3-yl-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-pyridin-4-yl-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-thiophen-3-yl-1,3-thiazole;(2-oxocyclopentyl) 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboximidothioate is sourced from PubChem (CID 159525942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).