[1-methyl-7-[[4-[2-(4-propan-2-ylpiperazin-1-yl)acetyl]piperazin-1-yl]methyl]indol-2-yl] N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamate

C36H53N7O6S — CID 66769017

IUPAC[1-methyl-7-[[4-[2-(4-propan-2-ylpiperazin-1-yl)acetyl]piperazin-1-yl]methyl]indol-2-yl] N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamate
SMILESCOc1c(NC(=O)Oc2cc3cccc(CN4CCN(C(=O)CN5CCN(C(C)C)CC5)CC4)c3n2C)cc(C(C)(C)C)cc1NS(C)(=O)=O
InChIInChI=1S/C36H53N7O6S/c1-25(2)42-16-12-41(13-17-42)24-31(44)43-18-14-40(15-19-43)23-27-11-9-10-26-20-32(39(6)33(26)27)49-35(45)37-29-21-28(36(3,4)5)22-30(34(29)48-7)38-50(8,46)47/h9-11,20-22,25,38H,12-19,23-24H2,1-8H3,(H,37,45)
InChIKeyAODQGZPFOBLFPK-UHFFFAOYSA-N
MW711.93 g/mol
LogP4.14
Rot. Bonds10

About [1-methyl-7-[[4-[2-(4-propan-2-ylpiperazin-1-yl)acetyl]piperazin-1-yl]methyl]indol-2-yl] N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamate

[1-methyl-7-[[4-[2-(4-propan-2-ylpiperazin-1-yl)acetyl]piperazin-1-yl]methyl]indol-2-yl] N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamate (PubChem CID 66769017) has the molecular formula C36H53N7O6S and a molecular weight of 711.93 g/mol. Its IUPAC name is [1-methyl-7-[[4-[2-(4-propan-2-ylpiperazin-1-yl)acetyl]piperazin-1-yl]methyl]indol-2-yl] N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamate.

Molecular Properties

Compound Name[1-methyl-7-[[4-[2-(4-propan-2-ylpiperazin-1-yl)acetyl]piperazin-1-yl]methyl]indol-2-yl] N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamate
PubChem CID66769017
Molecular FormulaC36H53N7O6S
Molecular Weight711.93 g/mol
Exact Mass711.38
IUPAC Name[1-methyl-7-[[4-[2-(4-propan-2-ylpiperazin-1-yl)acetyl]piperazin-1-yl]methyl]indol-2-yl] N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamate
SMILESCOc1c(NC(=O)Oc2cc3cccc(CN4CCN(C(=O)CN5CCN(C(C)C)CC5)CC4)c3n2C)cc(C(C)(C)C)cc1NS(C)(=O)=O
InChIInChI=1S/C36H53N7O6S/c1-25(2)42-16-12-41(13-17-42)24-31(44)43-18-14-40(15-19-43)23-27-11-9-10-26-20-32(39(6)33(26)27)49-35(45)37-29-21-28(36(3,4)5)22-30(34(29)48-7)38-50(8,46)47/h9-11,20-22,25,38H,12-19,23-24H2,1-8H3,(H,37,45)
InChIKeyAODQGZPFOBLFPK-UHFFFAOYSA-N
XLogP4.14
TPSA128.69 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500711.93
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze [1-methyl-7-[[4-[2-(4-propan-2-ylpiperazin-1-yl)acetyl]piperazin-1-yl]methyl]indol-2-yl] N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-methyl-7-[[4-[2-(4-propan-2-ylpiperazin-1-yl)acetyl]piperazin-1-yl]methyl]indol-2-yl] N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamate?
The IUPAC name of [1-methyl-7-[[4-[2-(4-propan-2-ylpiperazin-1-yl)acetyl]piperazin-1-yl]methyl]indol-2-yl] N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamate (CID 66769017) is [1-methyl-7-[[4-[2-(4-propan-2-ylpiperazin-1-yl)acetyl]piperazin-1-yl]methyl]indol-2-yl] N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamate.
What is the SMILES notation for [1-methyl-7-[[4-[2-(4-propan-2-ylpiperazin-1-yl)acetyl]piperazin-1-yl]methyl]indol-2-yl] N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamate?
The canonical SMILES for [1-methyl-7-[[4-[2-(4-propan-2-ylpiperazin-1-yl)acetyl]piperazin-1-yl]methyl]indol-2-yl] N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamate is COc1c(NC(=O)Oc2cc3cccc(CN4CCN(C(=O)CN5CCN(C(C)C)CC5)CC4)c3n2C)cc(C(C)(C)C)cc1NS(C)(=O)=O.
What is the InChIKey of [1-methyl-7-[[4-[2-(4-propan-2-ylpiperazin-1-yl)acetyl]piperazin-1-yl]methyl]indol-2-yl] N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamate?
The InChIKey is AODQGZPFOBLFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H53N7O6S/c1-25(2)42-16-12-41(13-17-42)24-31(44)43-18-14-40(15-19-43)23-27-11-9-10-26-20-32(39(6)33(26)27)49-35(45)37-29-21-28(36(3,4)5)22-30(34(29)48-7)38-50(8,46)47/h9-11,20-22,25,38H,12-19,23-24H2,1-8H3,(H,37,45).
What are the key properties of [1-methyl-7-[[4-[2-(4-propan-2-ylpiperazin-1-yl)acetyl]piperazin-1-yl]methyl]indol-2-yl] N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamate?
[1-methyl-7-[[4-[2-(4-propan-2-ylpiperazin-1-yl)acetyl]piperazin-1-yl]methyl]indol-2-yl] N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamate has a molecular weight of 711.93 g/mol, XLogP of 4.14, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-7-[[4-[2-(4-propan-2-ylpiperazin-1-yl)acetyl]piperazin-1-yl]methyl]indol-2-yl] N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamate is sourced from PubChem (CID 66769017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).