3-[5-[[4-[[4-[3-[2-[4-[[1-(3-aminopropyl)-3-[4-(trifluoromethoxy)phenyl]indol-4-yl]methyl]piperazin-1-yl]ethyl]-4-chlorophenyl]phenyl]methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine

C61H65ClF6N8O2 — CID 129201400

About 3-[5-[[4-[[4-[3-[2-[4-[[1-(3-aminopropyl)-3-[4-(trifluoromethoxy)phenyl]indol-4-yl]methyl]piperazin-1-yl]ethyl]-4-chlorophenyl]phenyl]methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine

3-[5-[[4-[[4-[3-[2-[4-[[1-(3-aminopropyl)-3-[4-(trifluoromethoxy)phenyl]indol-4-yl]methyl]piperazin-1-yl]ethyl]-4-chlorophenyl]phenyl]methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine (PubChem CID 129201400) has the molecular formula C61H65ClF6N8O2 and a molecular weight of 1091.69 g/mol. Its IUPAC name is 3-[5-[[4-[[4-[3-[2-[4-[[1-(3-aminopropyl)-3-[4-(trifluoromethoxy)phenyl]indol-4-yl]methyl]piperazin-1-yl]ethyl]-4-chlorophenyl]phenyl]methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine.

Molecular Properties

• Compound Name: 3-[5-[[4-[[4-[3-[2-[4-[[1-(3-aminopropyl)-3-[4-(trifluoromethoxy)phenyl]indol-4-yl]methyl]piperazin-1-yl]ethyl]-4-chlorophenyl]phenyl]methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine
• PubChem CID: 129201400
• Molecular Formula: C61H65ClF6N8O2
• Molecular Weight: 1091.69 g/mol
• Exact Mass: 1090.48
• IUPAC Name: 3-[5-[[4-[[4-[3-[2-[4-[[1-(3-aminopropyl)-3-[4-(trifluoromethoxy)phenyl]indol-4-yl]methyl]piperazin-1-yl]ethyl]-4-chlorophenyl]phenyl]methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine
• SMILES: NCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4ccc(-c5ccc(Cl)c(CCN6CCN(Cc7cccc8c7c(-c7ccc(OC(F)(F)F)cc7)cn8CCCN)CC6)c5)cc4)CC3)ccc21
• InChI: InChI=1S/C61H65ClF6N8O2/c62-56-20-15-48(37-49(56)22-27-71-28-30-74(31-29-71)40-50-4-1-5-58-59(50)55(42-76(58)26-3-24-70)47-13-18-52(19-14-47)78-61(66,67)68)45-9-6-43(7-10-45)38-72-32-34-73(35-33-72)39-44-8-21-57-53(36-44)54(41-75(57)25-2-23-69)46-11-16-51(17-12-46)77-60(63,64)65/h1,4-21,36-37,41-42H,2-3,22-35,38-40,69-70H2
• InChIKey: FMVOTRNRHMXWPY-UHFFFAOYSA-N
• XLogP: 12.42
• TPSA: 93.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 20
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1091.69
LogP ≤ 5	12.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[4-[[4-[3-[2-[4-[[1-(3-aminopropyl)-3-[4-(trifluoromethoxy)phenyl]indol-4-yl]methyl]piperazin-1-yl]ethyl]-4-chlorophenyl]phenyl]methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine?

The IUPAC name of 3-[5-[[4-[[4-[3-[2-[4-[[1-(3-aminopropyl)-3-[4-(trifluoromethoxy)phenyl]indol-4-yl]methyl]piperazin-1-yl]ethyl]-4-chlorophenyl]phenyl]methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine (CID 129201400) is 3-[5-[[4-[[4-[3-[2-[4-[[1-(3-aminopropyl)-3-[4-(trifluoromethoxy)phenyl]indol-4-yl]methyl]piperazin-1-yl]ethyl]-4-chlorophenyl]phenyl]methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine.

What is the SMILES notation for 3-[5-[[4-[[4-[3-[2-[4-[[1-(3-aminopropyl)-3-[4-(trifluoromethoxy)phenyl]indol-4-yl]methyl]piperazin-1-yl]ethyl]-4-chlorophenyl]phenyl]methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine?

The canonical SMILES for 3-[5-[[4-[[4-[3-[2-[4-[[1-(3-aminopropyl)-3-[4-(trifluoromethoxy)phenyl]indol-4-yl]methyl]piperazin-1-yl]ethyl]-4-chlorophenyl]phenyl]methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine is NCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4ccc(-c5ccc(Cl)c(CCN6CCN(Cc7cccc8c7c(-c7ccc(OC(F)(F)F)cc7)cn8CCCN)CC6)c5)cc4)CC3)ccc21.

What is the InChIKey of 3-[5-[[4-[[4-[3-[2-[4-[[1-(3-aminopropyl)-3-[4-(trifluoromethoxy)phenyl]indol-4-yl]methyl]piperazin-1-yl]ethyl]-4-chlorophenyl]phenyl]methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine?

The InChIKey is FMVOTRNRHMXWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H65ClF6N8O2/c62-56-20-15-48(37-49(56)22-27-71-28-30-74(31-29-71)40-50-4-1-5-58-59(50)55(42-76(58)26-3-24-70)47-13-18-52(19-14-47)78-61(66,67)68)45-9-6-43(7-10-45)38-72-32-34-73(35-33-72)39-44-8-21-57-53(36-44)54(41-75(57)25-2-23-69)46-11-16-51(17-12-46)77-60(63,64)65/h1,4-21,36-37,41-42H,2-3,22-35,38-40,69-70H2.

What are the key properties of 3-[5-[[4-[[4-[3-[2-[4-[[1-(3-aminopropyl)-3-[4-(trifluoromethoxy)phenyl]indol-4-yl]methyl]piperazin-1-yl]ethyl]-4-chlorophenyl]phenyl]methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine?

3-[5-[[4-[[4-[3-[2-[4-[[1-(3-aminopropyl)-3-[4-(trifluoromethoxy)phenyl]indol-4-yl]methyl]piperazin-1-yl]ethyl]-4-chlorophenyl]phenyl]methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine has a molecular weight of 1091.69 g/mol, XLogP of 12.42, 20 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[[4-[[4-[3-[2-[4-[[1-(3-aminopropyl)-3-[4-(trifluoromethoxy)phenyl]indol-4-yl]methyl]piperazin-1-yl]ethyl]-4-chlorophenyl]phenyl]methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine is sourced from PubChem (CID 129201400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).