4,5-dimethoxy-6-methyl-2-[3-[4-[3-(4,5,6-trimethoxy-1H-indol-2-yl)propyl]piperazin-1-yl]propyl]-1H-indole

C32H44N4O5 — CID 142201262

IUPAC4,5-dimethoxy-6-methyl-2-[3-[4-[3-(4,5,6-trimethoxy-1H-indol-2-yl)propyl]piperazin-1-yl]propyl]-1H-indole
SMILESCOc1cc2[nH]c(CCCN3CCN(CCCc4cc5c(OC)c(OC)c(C)cc5[nH]4)CC3)cc2c(OC)c1OC
InChIInChI=1S/C32H44N4O5/c1-21-17-26-24(30(39-4)29(21)38-3)18-22(33-26)9-7-11-35-13-15-36(16-14-35)12-8-10-23-19-25-27(34-23)20-28(37-2)32(41-6)31(25)40-5/h17-20,33-34H,7-16H2,1-6H3
InChIKeyHSODRISVBXQNSL-UHFFFAOYSA-N
MW564.73 g/mol
LogP5.18
Rot. Bonds13

About 4,5-dimethoxy-6-methyl-2-[3-[4-[3-(4,5,6-trimethoxy-1H-indol-2-yl)propyl]piperazin-1-yl]propyl]-1H-indole

4,5-dimethoxy-6-methyl-2-[3-[4-[3-(4,5,6-trimethoxy-1H-indol-2-yl)propyl]piperazin-1-yl]propyl]-1H-indole (PubChem CID 142201262) has the molecular formula C32H44N4O5 and a molecular weight of 564.73 g/mol. Its IUPAC name is 4,5-dimethoxy-6-methyl-2-[3-[4-[3-(4,5,6-trimethoxy-1H-indol-2-yl)propyl]piperazin-1-yl]propyl]-1H-indole.

Molecular Properties

Compound Name4,5-dimethoxy-6-methyl-2-[3-[4-[3-(4,5,6-trimethoxy-1H-indol-2-yl)propyl]piperazin-1-yl]propyl]-1H-indole
PubChem CID142201262
Molecular FormulaC32H44N4O5
Molecular Weight564.73 g/mol
Exact Mass564.33
IUPAC Name4,5-dimethoxy-6-methyl-2-[3-[4-[3-(4,5,6-trimethoxy-1H-indol-2-yl)propyl]piperazin-1-yl]propyl]-1H-indole
SMILESCOc1cc2[nH]c(CCCN3CCN(CCCc4cc5c(OC)c(OC)c(C)cc5[nH]4)CC3)cc2c(OC)c1OC
InChIInChI=1S/C32H44N4O5/c1-21-17-26-24(30(39-4)29(21)38-3)18-22(33-26)9-7-11-35-13-15-36(16-14-35)12-8-10-23-19-25-27(34-23)20-28(37-2)32(41-6)31(25)40-5/h17-20,33-34H,7-16H2,1-6H3
InChIKeyHSODRISVBXQNSL-UHFFFAOYSA-N
XLogP5.18
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.73
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-6-methyl-2-[3-[4-[3-(4,5,6-trimethoxy-1H-indol-2-yl)propyl]piperazin-1-yl]propyl]-1H-indole?
The IUPAC name of 4,5-dimethoxy-6-methyl-2-[3-[4-[3-(4,5,6-trimethoxy-1H-indol-2-yl)propyl]piperazin-1-yl]propyl]-1H-indole (CID 142201262) is 4,5-dimethoxy-6-methyl-2-[3-[4-[3-(4,5,6-trimethoxy-1H-indol-2-yl)propyl]piperazin-1-yl]propyl]-1H-indole.
What is the SMILES notation for 4,5-dimethoxy-6-methyl-2-[3-[4-[3-(4,5,6-trimethoxy-1H-indol-2-yl)propyl]piperazin-1-yl]propyl]-1H-indole?
The canonical SMILES for 4,5-dimethoxy-6-methyl-2-[3-[4-[3-(4,5,6-trimethoxy-1H-indol-2-yl)propyl]piperazin-1-yl]propyl]-1H-indole is COc1cc2[nH]c(CCCN3CCN(CCCc4cc5c(OC)c(OC)c(C)cc5[nH]4)CC3)cc2c(OC)c1OC.
What is the InChIKey of 4,5-dimethoxy-6-methyl-2-[3-[4-[3-(4,5,6-trimethoxy-1H-indol-2-yl)propyl]piperazin-1-yl]propyl]-1H-indole?
The InChIKey is HSODRISVBXQNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44N4O5/c1-21-17-26-24(30(39-4)29(21)38-3)18-22(33-26)9-7-11-35-13-15-36(16-14-35)12-8-10-23-19-25-27(34-23)20-28(37-2)32(41-6)31(25)40-5/h17-20,33-34H,7-16H2,1-6H3.
What are the key properties of 4,5-dimethoxy-6-methyl-2-[3-[4-[3-(4,5,6-trimethoxy-1H-indol-2-yl)propyl]piperazin-1-yl]propyl]-1H-indole?
4,5-dimethoxy-6-methyl-2-[3-[4-[3-(4,5,6-trimethoxy-1H-indol-2-yl)propyl]piperazin-1-yl]propyl]-1H-indole has a molecular weight of 564.73 g/mol, XLogP of 5.18, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-6-methyl-2-[3-[4-[3-(4,5,6-trimethoxy-1H-indol-2-yl)propyl]piperazin-1-yl]propyl]-1H-indole is sourced from PubChem (CID 142201262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).