4-tert-butyl-2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-pyridin-2-yl-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1,3-thiazol-4-ol;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-(trifluoromethyl)-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide;ethyl 2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1,3-thiazole-4-carboxylate

C143H129Cl6F3N20O10S6 — CID 158585859

About 4-tert-butyl-2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-pyridin-2-yl-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1,3-thiazol-4-ol;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-(trifluoromethyl)-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide;ethyl 2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1,3-thiazole-4-carboxylate

4-tert-butyl-2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-pyridin-2-yl-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1,3-thiazol-4-ol;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-(trifluoromethyl)-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide;ethyl 2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1,3-thiazole-4-carboxylate (PubChem CID 158585859) has the molecular formula C143H129Cl6F3N20O10S6 and a molecular weight of 2749.85 g/mol. Its IUPAC name is 4-tert-butyl-2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-pyridin-2-yl-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1,3-thiazol-4-ol;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-(trifluoromethyl)-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide;ethyl 2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1,3-thiazole-4-carboxylate.

Molecular Properties

• Compound Name: 4-tert-butyl-2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-pyridin-2-yl-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1,3-thiazol-4-ol;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-(trifluoromethyl)-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide;ethyl 2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1,3-thiazole-4-carboxylate
• PubChem CID: 158585859
• Molecular Formula: C143H129Cl6F3N20O10S6
• Molecular Weight: 2749.85 g/mol
• Exact Mass: 2744.66
• IUPAC Name: 4-tert-butyl-2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-pyridin-2-yl-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1,3-thiazol-4-ol;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-(trifluoromethyl)-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide;ethyl 2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1,3-thiazole-4-carboxylate
• SMILES: CCOC(=O)c1csc(N2CCc3c([nH]c4ccc(Cl)cc34)C2c2ccc(OC)cc2)n1.COc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2c2nc(-c3ccccn3)cs2)cc1.COc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2c2nc(C(C)(C)C)cs2)cc1.COc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2c2nc(C(F)(F)F)cs2)cc1.COc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2c2nc(C)c(C(=O)N(C)C)s2)cc1.COc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2c2nc(O)cs2)cc1
• InChI: InChI=1S/C26H21ClN4OS.C25H25ClN4O2S.C25H26ClN3OS.C24H22ClN3O3S.C22H17ClF3N3OS.C21H18ClN3O2S/c1-32-18-8-5-16(6-9-18)25-24-19(20-14-17(27)7-10-21(20)29-24)11-13-31(25)26-30-23(15-33-26)22-4-2-3-12-28-22;1-14-23(24(31)29(2)3)33-25(27-14)30-12-11-18-19-13-16(26)7-10-20(19)28-21(18)22(30)15-5-8-17(32-4)9-6-15;1-25(2,3)21-14-31-24(28-21)29-12-11-18-19-13-16(26)7-10-20(19)27-22(18)23(29)15-5-8-17(30-4)9-6-15;1-3-31-23(29)20-13-32-24(27-20)28-11-10-17-18-12-15(25)6-9-19(18)26-21(17)22(28)14-4-7-16(30-2)8-5-14;1-30-14-5-2-12(3-6-14)20-19-15(16-10-13(23)4-7-17(16)27-19)8-9-29(20)21-28-18(11-31-21)22(24,25)26;1-27-14-5-2-12(3-6-14)20-19-15(16-10-13(22)4-7-17(16)23-19)8-9-25(20)21-24-18(26)11-28-21/h2-10,12,14-15,25,29H,11,13H2,1H3;5-10,13,22,28H,11-12H2,1-4H3;5-10,13-14,23,27H,11-12H2,1-4H3;4-9,12-13,22,26H,3,10-11H2,1-2H3;2-7,10-11,20,27H,8-9H2,1H3;2-7,10-11,20,23,26H,8-9H2,1H3
• InChIKey: HTUYCRZVNAHDGZ-UHFFFAOYSA-N
• XLogP: 35.90
• TPSA: 326.63 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 22
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2749.85
LogP ≤ 5	35.90
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-pyridin-2-yl-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1,3-thiazol-4-ol;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-(trifluoromethyl)-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide;ethyl 2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1,3-thiazole-4-carboxylate?

The IUPAC name of 4-tert-butyl-2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-pyridin-2-yl-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1,3-thiazol-4-ol;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-(trifluoromethyl)-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide;ethyl 2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1,3-thiazole-4-carboxylate (CID 158585859) is 4-tert-butyl-2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-pyridin-2-yl-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1,3-thiazol-4-ol;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-(trifluoromethyl)-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide;ethyl 2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1,3-thiazole-4-carboxylate.

What is the SMILES notation for 4-tert-butyl-2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-pyridin-2-yl-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1,3-thiazol-4-ol;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-(trifluoromethyl)-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide;ethyl 2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1,3-thiazole-4-carboxylate?

The canonical SMILES for 4-tert-butyl-2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-pyridin-2-yl-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1,3-thiazol-4-ol;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-(trifluoromethyl)-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide;ethyl 2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(N2CCc3c([nH]c4ccc(Cl)cc34)C2c2ccc(OC)cc2)n1.COc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2c2nc(-c3ccccn3)cs2)cc1.COc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2c2nc(C(C)(C)C)cs2)cc1.COc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2c2nc(C(F)(F)F)cs2)cc1.COc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2c2nc(C)c(C(=O)N(C)C)s2)cc1.COc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2c2nc(O)cs2)cc1.

What is the InChIKey of 4-tert-butyl-2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-pyridin-2-yl-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1,3-thiazol-4-ol;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-(trifluoromethyl)-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide;ethyl 2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1,3-thiazole-4-carboxylate?

The InChIKey is HTUYCRZVNAHDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN4OS.C25H25ClN4O2S.C25H26ClN3OS.C24H22ClN3O3S.C22H17ClF3N3OS.C21H18ClN3O2S/c1-32-18-8-5-16(6-9-18)25-24-19(20-14-17(27)7-10-21(20)29-24)11-13-31(25)26-30-23(15-33-26)22-4-2-3-12-28-22;1-14-23(24(31)29(2)3)33-25(27-14)30-12-11-18-19-13-16(26)7-10-20(19)28-21(18)22(30)15-5-8-17(32-4)9-6-15;1-25(2,3)21-14-31-24(28-21)29-12-11-18-19-13-16(26)7-10-20(19)27-22(18)23(29)15-5-8-17(30-4)9-6-15;1-3-31-23(29)20-13-32-24(27-20)28-11-10-17-18-12-15(25)6-9-19(18)26-21(17)22(28)14-4-7-16(30-2)8-5-14;1-30-14-5-2-12(3-6-14)20-19-15(16-10-13(23)4-7-17(16)27-19)8-9-29(20)21-28-18(11-31-21)22(24,25)26;1-27-14-5-2-12(3-6-14)20-19-15(16-10-13(22)4-7-17(16)23-19)8-9-25(20)21-24-18(26)11-28-21/h2-10,12,14-15,25,29H,11,13H2,1H3;5-10,13,22,28H,11-12H2,1-4H3;5-10,13-14,23,27H,11-12H2,1-4H3;4-9,12-13,22,26H,3,10-11H2,1-2H3;2-7,10-11,20,27H,8-9H2,1H3;2-7,10-11,20,23,26H,8-9H2,1H3.

What are the key properties of 4-tert-butyl-2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-pyridin-2-yl-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1,3-thiazol-4-ol;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-(trifluoromethyl)-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide;ethyl 2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1,3-thiazole-4-carboxylate?

4-tert-butyl-2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-pyridin-2-yl-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1,3-thiazol-4-ol;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-(trifluoromethyl)-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide;ethyl 2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1,3-thiazole-4-carboxylate has a molecular weight of 2749.85 g/mol, XLogP of 35.90, 22 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-pyridin-2-yl-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1,3-thiazol-4-ol;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-4-(trifluoromethyl)-1,3-thiazole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide;ethyl 2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 158585859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).