ethyl 2-[2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-6-yl]propan-2-yloxy]acetate

C32H53N3O6Si — CID 155752034

IUPACethyl 2-[2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-6-yl]propan-2-yloxy]acetate
SMILESCCOC(=O)COC(C)(C)c1cc2nn(C3CCC(CO[Si](C)(C)C(C)(C)C)CC3)cc2cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C32H53N3O6Si/c1-12-38-28(36)21-39-32(8,9)25-18-26-23(17-27(25)33-29(37)41-30(2,3)4)19-35(34-26)24-15-13-22(14-16-24)20-40-42(10,11)31(5,6)7/h17-19,22,24H,12-16,20-21H2,1-11H3,(H,33,37)
InChIKeyZGBGZYDJWZAPPR-UHFFFAOYSA-N
MW603.88 g/mol
LogP7.95
Rot. Bonds10

About ethyl 2-[2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-6-yl]propan-2-yloxy]acetate

ethyl 2-[2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-6-yl]propan-2-yloxy]acetate (PubChem CID 155752034) has the molecular formula C32H53N3O6Si and a molecular weight of 603.88 g/mol. Its IUPAC name is ethyl 2-[2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-6-yl]propan-2-yloxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-6-yl]propan-2-yloxy]acetate
PubChem CID155752034
Molecular FormulaC32H53N3O6Si
Molecular Weight603.88 g/mol
Exact Mass603.37
IUPAC Nameethyl 2-[2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-6-yl]propan-2-yloxy]acetate
SMILESCCOC(=O)COC(C)(C)c1cc2nn(C3CCC(CO[Si](C)(C)C(C)(C)C)CC3)cc2cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C32H53N3O6Si/c1-12-38-28(36)21-39-32(8,9)25-18-26-23(17-27(25)33-29(37)41-30(2,3)4)19-35(34-26)24-15-13-22(14-16-24)20-40-42(10,11)31(5,6)7/h17-19,22,24H,12-16,20-21H2,1-11H3,(H,33,37)
InChIKeyZGBGZYDJWZAPPR-UHFFFAOYSA-N
XLogP7.95
TPSA100.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.88
LogP ≤ 57.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze ethyl 2-[2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-6-yl]propan-2-yloxy]acetate with MolForge

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Related Compounds

2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]indazol-5-amine
CID 164567192
tert-butyl N-[6-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-2-fluoro-3-pyridinyl]carbamate
CID 46318074
tert-butyl N-[2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]ethynyl]-4-pyridinyl]carbamate
CID 164566876
ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-propan-2-yloxyindazol-2-yl]acetate
CID 118182503
ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-2-yl]acetate
CID 118182502
4-[6-(2-hydroxypropan-2-yl)-5-[(2-methyl-1,3-oxazol-4-yl)methylamino]indazol-2-yl]cyclohexane-1-carbaldehyde
CID 167156787
N-[2-[4-(hydroxymethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 155437655
[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]methyl N-methylcarbamate
CID 170227743
N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide
CID 155437780
N-[6-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide
CID 167156198
tert-butyl 4-[4-[5-amino-6-(2-hydroxypropan-2-yl)indazol-2-yl]cyclohexyl]piperazine-1-carboxylate
CID 170436386
N-[2-[4-(hydroxymethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 167375591

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-6-yl]propan-2-yloxy]acetate?
The IUPAC name of ethyl 2-[2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-6-yl]propan-2-yloxy]acetate (CID 155752034) is ethyl 2-[2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-6-yl]propan-2-yloxy]acetate.
What is the SMILES notation for ethyl 2-[2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-6-yl]propan-2-yloxy]acetate?
The canonical SMILES for ethyl 2-[2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-6-yl]propan-2-yloxy]acetate is CCOC(=O)COC(C)(C)c1cc2nn(C3CCC(CO[Si](C)(C)C(C)(C)C)CC3)cc2cc1NC(=O)OC(C)(C)C.
What is the InChIKey of ethyl 2-[2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-6-yl]propan-2-yloxy]acetate?
The InChIKey is ZGBGZYDJWZAPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H53N3O6Si/c1-12-38-28(36)21-39-32(8,9)25-18-26-23(17-27(25)33-29(37)41-30(2,3)4)19-35(34-26)24-15-13-22(14-16-24)20-40-42(10,11)31(5,6)7/h17-19,22,24H,12-16,20-21H2,1-11H3,(H,33,37).
What are the key properties of ethyl 2-[2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-6-yl]propan-2-yloxy]acetate?
ethyl 2-[2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-6-yl]propan-2-yloxy]acetate has a molecular weight of 603.88 g/mol, XLogP of 7.95, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-6-yl]propan-2-yloxy]acetate is sourced from PubChem (CID 155752034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).