1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[5-(trifluoromethoxy)-2-pyridinyl]indole;1-butyl-5-[[4-[(2-methyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(3-pyridin-2-ylpropyl)-3-[4-(trifluoromethoxy)phenyl]indole;N-[4-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]butyl]pyridin-2-amine

C131H138Cl3F12N17O4 — CID 161400674

About 1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[5-(trifluoromethoxy)-2-pyridinyl]indole;1-butyl-5-[[4-[(2-methyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(3-pyridin-2-ylpropyl)-3-[4-(trifluoromethoxy)phenyl]indole;N-[4-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]butyl]pyridin-2-amine

1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[5-(trifluoromethoxy)-2-pyridinyl]indole;1-butyl-5-[[4-[(2-methyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(3-pyridin-2-ylpropyl)-3-[4-(trifluoromethoxy)phenyl]indole;N-[4-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]butyl]pyridin-2-amine (PubChem CID 161400674) has the molecular formula C131H138Cl3F12N17O4 and a molecular weight of 2348.99 g/mol. Its IUPAC name is 1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[5-(trifluoromethoxy)-2-pyridinyl]indole;1-butyl-5-[[4-[(2-methyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(3-pyridin-2-ylpropyl)-3-[4-(trifluoromethoxy)phenyl]indole;N-[4-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]butyl]pyridin-2-amine.

Molecular Properties

• Compound Name: 1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[5-(trifluoromethoxy)-2-pyridinyl]indole;1-butyl-5-[[4-[(2-methyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(3-pyridin-2-ylpropyl)-3-[4-(trifluoromethoxy)phenyl]indole;N-[4-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]butyl]pyridin-2-amine
• PubChem CID: 161400674
• Molecular Formula: C131H138Cl3F12N17O4
• Molecular Weight: 2348.99 g/mol
• Exact Mass: 2346.00
• IUPAC Name: 1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[5-(trifluoromethoxy)-2-pyridinyl]indole;1-butyl-5-[[4-[(2-methyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(3-pyridin-2-ylpropyl)-3-[4-(trifluoromethoxy)phenyl]indole;N-[4-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]butyl]pyridin-2-amine
• SMILES: CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4cnc(C)[nH]4)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cn2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.FC(F)(F)Oc1ccc(-c2cn(CCCCNc3ccccn3)c3ccc(CC4CCN(Cc5ccccc5Cl)CC4)cc23)cc1.FC(F)(F)Oc1ccc(-c2cn(CCCc3ccccn3)c3ccc(CN4CCN(Cc5ccccc5Cl)CC4)cc23)cc1
• InChI: InChI=1S/C37H38ClF3N4O.C35H34ClF3N4O.C30H32ClF3N4O.C29H34F3N5O/c38-34-8-2-1-7-30(34)25-44-21-16-27(17-22-44)23-28-10-15-35-32(24-28)33(29-11-13-31(14-12-29)46-37(39,40)41)26-45(35)20-6-5-19-43-36-9-3-4-18-42-36;36-33-9-2-1-6-28(33)24-42-20-18-41(19-21-42)23-26-10-15-34-31(22-26)32(27-11-13-30(14-12-27)44-35(37,38)39)25-43(34)17-5-8-29-7-3-4-16-40-29;1-2-3-12-38-21-26(28-10-9-24(18-35-28)39-30(32,33)34)25-17-22(8-11-29(25)38)19-36-13-15-37(16-14-36)20-23-6-4-5-7-27(23)31;1-3-4-11-37-20-27(23-6-8-25(9-7-23)38-29(30,31)32)26-16-22(5-10-28(26)37)18-35-12-14-36(15-13-35)19-24-17-33-21(2)34-24/h1-4,7-15,18,24,26-27H,5-6,16-17,19-23,25H2,(H,42,43);1-4,6-7,9-16,22,25H,5,8,17-21,23-24H2;4-11,17-18,21H,2-3,12-16,19-20H2,1H3;5-10,16-17,20H,3-4,11-15,18-19H2,1-2H3,(H,33,34)
• InChIKey: VUESOCXPWAEKMJ-UHFFFAOYSA-N
• XLogP: 31.54
• TPSA: 158.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 40
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2348.99
LogP ≤ 5	31.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[5-(trifluoromethoxy)-2-pyridinyl]indole;1-butyl-5-[[4-[(2-methyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(3-pyridin-2-ylpropyl)-3-[4-(trifluoromethoxy)phenyl]indole;N-[4-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]butyl]pyridin-2-amine?

The IUPAC name of 1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[5-(trifluoromethoxy)-2-pyridinyl]indole;1-butyl-5-[[4-[(2-methyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(3-pyridin-2-ylpropyl)-3-[4-(trifluoromethoxy)phenyl]indole;N-[4-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]butyl]pyridin-2-amine (CID 161400674) is 1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[5-(trifluoromethoxy)-2-pyridinyl]indole;1-butyl-5-[[4-[(2-methyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(3-pyridin-2-ylpropyl)-3-[4-(trifluoromethoxy)phenyl]indole;N-[4-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]butyl]pyridin-2-amine.

What is the SMILES notation for 1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[5-(trifluoromethoxy)-2-pyridinyl]indole;1-butyl-5-[[4-[(2-methyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(3-pyridin-2-ylpropyl)-3-[4-(trifluoromethoxy)phenyl]indole;N-[4-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]butyl]pyridin-2-amine?

The canonical SMILES for 1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[5-(trifluoromethoxy)-2-pyridinyl]indole;1-butyl-5-[[4-[(2-methyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(3-pyridin-2-ylpropyl)-3-[4-(trifluoromethoxy)phenyl]indole;N-[4-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]butyl]pyridin-2-amine is CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4cnc(C)[nH]4)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cn2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.FC(F)(F)Oc1ccc(-c2cn(CCCCNc3ccccn3)c3ccc(CC4CCN(Cc5ccccc5Cl)CC4)cc23)cc1.FC(F)(F)Oc1ccc(-c2cn(CCCc3ccccn3)c3ccc(CN4CCN(Cc5ccccc5Cl)CC4)cc23)cc1.

What is the InChIKey of 1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[5-(trifluoromethoxy)-2-pyridinyl]indole;1-butyl-5-[[4-[(2-methyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(3-pyridin-2-ylpropyl)-3-[4-(trifluoromethoxy)phenyl]indole;N-[4-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]butyl]pyridin-2-amine?

The InChIKey is VUESOCXPWAEKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38ClF3N4O.C35H34ClF3N4O.C30H32ClF3N4O.C29H34F3N5O/c38-34-8-2-1-7-30(34)25-44-21-16-27(17-22-44)23-28-10-15-35-32(24-28)33(29-11-13-31(14-12-29)46-37(39,40)41)26-45(35)20-6-5-19-43-36-9-3-4-18-42-36;36-33-9-2-1-6-28(33)24-42-20-18-41(19-21-42)23-26-10-15-34-31(22-26)32(27-11-13-30(14-12-27)44-35(37,38)39)25-43(34)17-5-8-29-7-3-4-16-40-29;1-2-3-12-38-21-26(28-10-9-24(18-35-28)39-30(32,33)34)25-17-22(8-11-29(25)38)19-36-13-15-37(16-14-36)20-23-6-4-5-7-27(23)31;1-3-4-11-37-20-27(23-6-8-25(9-7-23)38-29(30,31)32)26-16-22(5-10-28(26)37)18-35-12-14-36(15-13-35)19-24-17-33-21(2)34-24/h1-4,7-15,18,24,26-27H,5-6,16-17,19-23,25H2,(H,42,43);1-4,6-7,9-16,22,25H,5,8,17-21,23-24H2;4-11,17-18,21H,2-3,12-16,19-20H2,1H3;5-10,16-17,20H,3-4,11-15,18-19H2,1-2H3,(H,33,34).

What are the key properties of 1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[5-(trifluoromethoxy)-2-pyridinyl]indole;1-butyl-5-[[4-[(2-methyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(3-pyridin-2-ylpropyl)-3-[4-(trifluoromethoxy)phenyl]indole;N-[4-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]butyl]pyridin-2-amine?

1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[5-(trifluoromethoxy)-2-pyridinyl]indole;1-butyl-5-[[4-[(2-methyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(3-pyridin-2-ylpropyl)-3-[4-(trifluoromethoxy)phenyl]indole;N-[4-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]butyl]pyridin-2-amine has a molecular weight of 2348.99 g/mol, XLogP of 31.54, 40 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[5-(trifluoromethoxy)-2-pyridinyl]indole;1-butyl-5-[[4-[(2-methyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(3-pyridin-2-ylpropyl)-3-[4-(trifluoromethoxy)phenyl]indole;N-[4-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]butyl]pyridin-2-amine is sourced from PubChem (CID 161400674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).