bis((4-chlorophenyl) 6-chloro-1-[4-[2-(2-imino-5-methyl-1,3-thiazol-3-yl)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate);(4-chlorophenyl) 6-chloro-1-[4-[2-(2-imino-1,3-thiazol-3-yl)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-(diaminomethylideneamino)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[3-(2-methoxyethoxy)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-(1,2,4-triazin-3-ylamino)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate

C163H158Cl9N25O20S3 — CID 157418150

About bis((4-chlorophenyl) 6-chloro-1-[4-[2-(2-imino-5-methyl-1,3-thiazol-3-yl)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate);(4-chlorophenyl) 6-chloro-1-[4-[2-(2-imino-1,3-thiazol-3-yl)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-(diaminomethylideneamino)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[3-(2-methoxyethoxy)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-(1,2,4-triazin-3-ylamino)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate

bis((4-chlorophenyl) 6-chloro-1-[4-[2-(2-imino-5-methyl-1,3-thiazol-3-yl)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate);(4-chlorophenyl) 6-chloro-1-[4-[2-(2-imino-1,3-thiazol-3-yl)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-(diaminomethylideneamino)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[3-(2-methoxyethoxy)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-(1,2,4-triazin-3-ylamino)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate (PubChem CID 157418150) has the molecular formula C163H158Cl9N25O20S3 and a molecular weight of 3202.49 g/mol. Its IUPAC name is bis((4-chlorophenyl) 6-chloro-1-[4-[2-(2-imino-5-methyl-1,3-thiazol-3-yl)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate);(4-chlorophenyl) 6-chloro-1-[4-[2-(2-imino-1,3-thiazol-3-yl)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-(diaminomethylideneamino)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[3-(2-methoxyethoxy)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-(1,2,4-triazin-3-ylamino)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate.

Molecular Properties

• Compound Name: bis((4-chlorophenyl) 6-chloro-1-[4-[2-(2-imino-5-methyl-1,3-thiazol-3-yl)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate);(4-chlorophenyl) 6-chloro-1-[4-[2-(2-imino-1,3-thiazol-3-yl)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-(diaminomethylideneamino)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[3-(2-methoxyethoxy)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-(1,2,4-triazin-3-ylamino)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
• PubChem CID: 157418150
• Molecular Formula: C163H158Cl9N25O20S3
• Molecular Weight: 3202.49 g/mol
• Exact Mass: 3195.85
• IUPAC Name: bis((4-chlorophenyl) 6-chloro-1-[4-[2-(2-imino-5-methyl-1,3-thiazol-3-yl)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate);(4-chlorophenyl) 6-chloro-1-[4-[2-(2-imino-1,3-thiazol-3-yl)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-(diaminomethylideneamino)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[3-(2-methoxyethoxy)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-(1,2,4-triazin-3-ylamino)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
• SMILES: CCOC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(OCCCOCCOC)cc1.CCOC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(OCCN=C(N)N)cc1.CCOC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(OCCNc2nccnn2)cc1.[H]/N=c1\sc(C)cn1CCOc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Oc2ccc(Cl)cc2)cc1.[H]/N=c1\sc(C)cn1CCOc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Oc2ccc(Cl)cc2)cc1.[H]/N=c1\sccn1CCOc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Oc2ccc(Cl)cc2)cc1
• InChI: InChI=1S/2C30H26Cl2N4O3S.C29H24Cl2N4O3S.C26H31ClN2O5.C25H25ClN6O3.C23H26ClN5O3/c2*1-18-17-35(29(33)40-18)14-15-38-22-7-2-19(3-8-22)28-27-24(25-16-21(32)6-11-26(25)34-27)12-13-36(28)30(37)39-23-9-4-20(31)5-10-23;30-19-3-8-22(9-4-19)38-29(36)35-12-11-23-24-17-20(31)5-10-25(24)33-26(23)27(35)18-1-6-21(7-2-18)37-15-13-34-14-16-39-28(34)32;1-3-33-26(30)29-12-11-21-22-17-19(27)7-10-23(22)28-24(21)25(29)18-5-8-20(9-6-18)34-14-4-13-32-16-15-31-2;1-2-34-25(33)32-13-9-19-20-15-17(26)5-8-21(20)30-22(19)23(32)16-3-6-18(7-4-16)35-14-12-28-24-27-10-11-29-31-24;1-2-31-23(30)29-11-9-17-18-13-15(24)5-8-19(18)28-20(17)21(29)14-3-6-16(7-4-14)32-12-10-27-22(25)26/h2*2-11,16-17,28,33-34H,12-15H2,1H3;1-10,14,16-17,27,32-33H,11-13,15H2;5-10,17,25,28H,3-4,11-16H2,1-2H3;3-8,10-11,15,23,30H,2,9,12-14H2,1H3,(H,27,28,31);3-8,13,21,28H,2,9-12H2,1H3,(H4,25,26,27)/b2*33-29-;32-28-
• InChIKey: BPBZLFMPUZEODR-ORBOLLCASA-N
• XLogP: 35.28
• TPSA: 547.26 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 34
• Rotatable Bonds: 41
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3202.49
LogP ≤ 5	35.28
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 bis((4-chlorophenyl) 6-chloro-1-[4-[2-(2-imino-5-methyl-1,3-thiazol-3-yl)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate);(4-chlorophenyl) 6-chloro-1-[4-[2-(2-imino-1,3-thiazol-3-yl)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-(diaminomethylideneamino)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[3-(2-methoxyethoxy)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-(1,2,4-triazin-3-ylamino)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate?

The IUPAC name of bis((4-chlorophenyl) 6-chloro-1-[4-[2-(2-imino-5-methyl-1,3-thiazol-3-yl)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate);(4-chlorophenyl) 6-chloro-1-[4-[2-(2-imino-1,3-thiazol-3-yl)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-(diaminomethylideneamino)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[3-(2-methoxyethoxy)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-(1,2,4-triazin-3-ylamino)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate (CID 157418150) is bis((4-chlorophenyl) 6-chloro-1-[4-[2-(2-imino-5-methyl-1,3-thiazol-3-yl)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate);(4-chlorophenyl) 6-chloro-1-[4-[2-(2-imino-1,3-thiazol-3-yl)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-(diaminomethylideneamino)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[3-(2-methoxyethoxy)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-(1,2,4-triazin-3-ylamino)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate.

What is the SMILES notation for bis((4-chlorophenyl) 6-chloro-1-[4-[2-(2-imino-5-methyl-1,3-thiazol-3-yl)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate);(4-chlorophenyl) 6-chloro-1-[4-[2-(2-imino-1,3-thiazol-3-yl)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-(diaminomethylideneamino)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[3-(2-methoxyethoxy)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-(1,2,4-triazin-3-ylamino)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate?

The canonical SMILES for bis((4-chlorophenyl) 6-chloro-1-[4-[2-(2-imino-5-methyl-1,3-thiazol-3-yl)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate);(4-chlorophenyl) 6-chloro-1-[4-[2-(2-imino-1,3-thiazol-3-yl)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-(diaminomethylideneamino)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[3-(2-methoxyethoxy)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-(1,2,4-triazin-3-ylamino)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate is CCOC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(OCCCOCCOC)cc1.CCOC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(OCCN=C(N)N)cc1.CCOC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(OCCNc2nccnn2)cc1.[H]/N=c1\sc(C)cn1CCOc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Oc2ccc(Cl)cc2)cc1.[H]/N=c1\sc(C)cn1CCOc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Oc2ccc(Cl)cc2)cc1.[H]/N=c1\sccn1CCOc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Oc2ccc(Cl)cc2)cc1.

What is the InChIKey of bis((4-chlorophenyl) 6-chloro-1-[4-[2-(2-imino-5-methyl-1,3-thiazol-3-yl)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate);(4-chlorophenyl) 6-chloro-1-[4-[2-(2-imino-1,3-thiazol-3-yl)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-(diaminomethylideneamino)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[3-(2-methoxyethoxy)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-(1,2,4-triazin-3-ylamino)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate?

The InChIKey is BPBZLFMPUZEODR-ORBOLLCASA-N. The full InChI is InChI=1S/2C30H26Cl2N4O3S.C29H24Cl2N4O3S.C26H31ClN2O5.C25H25ClN6O3.C23H26ClN5O3/c2*1-18-17-35(29(33)40-18)14-15-38-22-7-2-19(3-8-22)28-27-24(25-16-21(32)6-11-26(25)34-27)12-13-36(28)30(37)39-23-9-4-20(31)5-10-23;30-19-3-8-22(9-4-19)38-29(36)35-12-11-23-24-17-20(31)5-10-25(24)33-26(23)27(35)18-1-6-21(7-2-18)37-15-13-34-14-16-39-28(34)32;1-3-33-26(30)29-12-11-21-22-17-19(27)7-10-23(22)28-24(21)25(29)18-5-8-20(9-6-18)34-14-4-13-32-16-15-31-2;1-2-34-25(33)32-13-9-19-20-15-17(26)5-8-21(20)30-22(19)23(32)16-3-6-18(7-4-16)35-14-12-28-24-27-10-11-29-31-24;1-2-31-23(30)29-11-9-17-18-13-15(24)5-8-19(18)28-20(17)21(29)14-3-6-16(7-4-14)32-12-10-27-22(25)26/h2*2-11,16-17,28,33-34H,12-15H2,1H3;1-10,14,16-17,27,32-33H,11-13,15H2;5-10,17,25,28H,3-4,11-16H2,1-2H3;3-8,10-11,15,23,30H,2,9,12-14H2,1H3,(H,27,28,31);3-8,13,21,28H,2,9-12H2,1H3,(H4,25,26,27)/b2*33-29-;32-28-;;;.

What are the key properties of bis((4-chlorophenyl) 6-chloro-1-[4-[2-(2-imino-5-methyl-1,3-thiazol-3-yl)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate);(4-chlorophenyl) 6-chloro-1-[4-[2-(2-imino-1,3-thiazol-3-yl)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-(diaminomethylideneamino)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[3-(2-methoxyethoxy)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-(1,2,4-triazin-3-ylamino)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate?

bis((4-chlorophenyl) 6-chloro-1-[4-[2-(2-imino-5-methyl-1,3-thiazol-3-yl)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate);(4-chlorophenyl) 6-chloro-1-[4-[2-(2-imino-1,3-thiazol-3-yl)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-(diaminomethylideneamino)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[3-(2-methoxyethoxy)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-(1,2,4-triazin-3-ylamino)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate has a molecular weight of 3202.49 g/mol, XLogP of 35.28, 41 rotatable bonds, 12 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for bis((4-chlorophenyl) 6-chloro-1-[4-[2-(2-imino-5-methyl-1,3-thiazol-3-yl)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate);(4-chlorophenyl) 6-chloro-1-[4-[2-(2-imino-1,3-thiazol-3-yl)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-(diaminomethylideneamino)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[3-(2-methoxyethoxy)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-(1,2,4-triazin-3-ylamino)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate is sourced from PubChem (CID 157418150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).