tert-butyl 4-[4-[[tert-butyl(diphenyl)silyl]oxy-[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate

C46H51N5O6Si — CID 155710528

IUPACtert-butyl 4-[4-[[tert-butyl(diphenyl)silyl]oxy-[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2cc(C(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)c3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CC1
InChIInChI=1S/C46H51N5O6Si/c1-45(2,3)56-44(55)49-26-24-31(25-27-49)50-29-30(28-47-50)41(57-58(46(4,5)6,32-14-9-7-10-15-32)33-16-11-8-12-17-33)35-20-21-37-40-34(35)18-13-19-36(40)43(54)51(37)38-22-23-39(52)48-42(38)53/h7-21,28-29,31,38,41H,22-27H2,1-6H3,(H,48,52,53)
InChIKeyFXEVCKOXJKRCNF-UHFFFAOYSA-N
MW798.03 g/mol
LogP7.04
Rot. Bonds8

About tert-butyl 4-[4-[[tert-butyl(diphenyl)silyl]oxy-[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate

tert-butyl 4-[4-[[tert-butyl(diphenyl)silyl]oxy-[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate (PubChem CID 155710528) has the molecular formula C46H51N5O6Si and a molecular weight of 798.03 g/mol. Its IUPAC name is tert-butyl 4-[4-[[tert-butyl(diphenyl)silyl]oxy-[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-[[tert-butyl(diphenyl)silyl]oxy-[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate
PubChem CID155710528
Molecular FormulaC46H51N5O6Si
Molecular Weight798.03 g/mol
Exact Mass797.36
IUPAC Nametert-butyl 4-[4-[[tert-butyl(diphenyl)silyl]oxy-[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2cc(C(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)c3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CC1
InChIInChI=1S/C46H51N5O6Si/c1-45(2,3)56-44(55)49-26-24-31(25-27-49)50-29-30(28-47-50)41(57-58(46(4,5)6,32-14-9-7-10-15-32)33-16-11-8-12-17-33)35-20-21-37-40-34(35)18-13-19-36(40)43(54)51(37)38-22-23-39(52)48-42(38)53/h7-21,28-29,31,38,41H,22-27H2,1-6H3,(H,48,52,53)
InChIKeyFXEVCKOXJKRCNF-UHFFFAOYSA-N
XLogP7.04
TPSA123.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.03
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze tert-butyl 4-[4-[[tert-butyl(diphenyl)silyl]oxy-[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate 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 tert-butyl 4-[4-[[tert-butyl(diphenyl)silyl]oxy-[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-[[tert-butyl(diphenyl)silyl]oxy-[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate (CID 155710528) is tert-butyl 4-[4-[[tert-butyl(diphenyl)silyl]oxy-[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-[[tert-butyl(diphenyl)silyl]oxy-[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-[[tert-butyl(diphenyl)silyl]oxy-[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(n2cc(C(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)c3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CC1.
What is the InChIKey of tert-butyl 4-[4-[[tert-butyl(diphenyl)silyl]oxy-[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate?
The InChIKey is FXEVCKOXJKRCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H51N5O6Si/c1-45(2,3)56-44(55)49-26-24-31(25-27-49)50-29-30(28-47-50)41(57-58(46(4,5)6,32-14-9-7-10-15-32)33-16-11-8-12-17-33)35-20-21-37-40-34(35)18-13-19-36(40)43(54)51(37)38-22-23-39(52)48-42(38)53/h7-21,28-29,31,38,41H,22-27H2,1-6H3,(H,48,52,53).
What are the key properties of tert-butyl 4-[4-[[tert-butyl(diphenyl)silyl]oxy-[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate?
tert-butyl 4-[4-[[tert-butyl(diphenyl)silyl]oxy-[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate has a molecular weight of 798.03 g/mol, XLogP of 7.04, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-[[tert-butyl(diphenyl)silyl]oxy-[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 155710528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).