methyl 1-(2-dimethylsilylethoxymethyl)-2-[6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazol-3-yl]-6,7-dihydroindole-6-carboxylate

C30H49N3O4Si2 — CID 163672674

IUPACmethyl 1-(2-dimethylsilylethoxymethyl)-2-[6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazol-3-yl]-6,7-dihydroindole-6-carboxylate
SMILESCOC(=O)C1C=Cc2cc(-c3nn(COCC[Si](C)(C)C)c4c3CCC(C)(C)C4)n(COCC[SiH](C)C)c2C1
InChIInChI=1S/C30H49N3O4Si2/c1-30(2)12-11-24-27(19-30)33(21-37-14-16-39(6,7)8)31-28(24)26-17-22-9-10-23(29(34)35-3)18-25(22)32(26)20-36-13-15-38(4)5/h9-10,17,23,38H,11-16,18-21H2,1-8H3
InChIKeyJDXTZOUGTUVTAN-UHFFFAOYSA-N
MW571.91 g/mol
LogP6.00
Rot. Bonds12

About methyl 1-(2-dimethylsilylethoxymethyl)-2-[6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazol-3-yl]-6,7-dihydroindole-6-carboxylate

methyl 1-(2-dimethylsilylethoxymethyl)-2-[6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazol-3-yl]-6,7-dihydroindole-6-carboxylate (PubChem CID 163672674) has the molecular formula C30H49N3O4Si2 and a molecular weight of 571.91 g/mol. Its IUPAC name is methyl 1-(2-dimethylsilylethoxymethyl)-2-[6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazol-3-yl]-6,7-dihydroindole-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-dimethylsilylethoxymethyl)-2-[6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazol-3-yl]-6,7-dihydroindole-6-carboxylate
PubChem CID163672674
Molecular FormulaC30H49N3O4Si2
Molecular Weight571.91 g/mol
Exact Mass571.33
IUPAC Namemethyl 1-(2-dimethylsilylethoxymethyl)-2-[6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazol-3-yl]-6,7-dihydroindole-6-carboxylate
SMILESCOC(=O)C1C=Cc2cc(-c3nn(COCC[Si](C)(C)C)c4c3CCC(C)(C)C4)n(COCC[SiH](C)C)c2C1
InChIInChI=1S/C30H49N3O4Si2/c1-30(2)12-11-24-27(19-30)33(21-37-14-16-39(6,7)8)31-28(24)26-17-22-9-10-23(29(34)35-3)18-25(22)32(26)20-36-13-15-38(4)5/h9-10,17,23,38H,11-16,18-21H2,1-8H3
InChIKeyJDXTZOUGTUVTAN-UHFFFAOYSA-N
XLogP6.00
TPSA67.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.91
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 1-(2-dimethylsilylethoxymethyl)-2-[6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazol-3-yl]-6,7-dihydroindole-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-dimethylsilylethoxymethyl)-2-[6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazol-3-yl]-6,7-dihydroindole-6-carboxylate?
The IUPAC name of methyl 1-(2-dimethylsilylethoxymethyl)-2-[6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazol-3-yl]-6,7-dihydroindole-6-carboxylate (CID 163672674) is methyl 1-(2-dimethylsilylethoxymethyl)-2-[6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazol-3-yl]-6,7-dihydroindole-6-carboxylate.
What is the SMILES notation for methyl 1-(2-dimethylsilylethoxymethyl)-2-[6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazol-3-yl]-6,7-dihydroindole-6-carboxylate?
The canonical SMILES for methyl 1-(2-dimethylsilylethoxymethyl)-2-[6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazol-3-yl]-6,7-dihydroindole-6-carboxylate is COC(=O)C1C=Cc2cc(-c3nn(COCC[Si](C)(C)C)c4c3CCC(C)(C)C4)n(COCC[SiH](C)C)c2C1.
What is the InChIKey of methyl 1-(2-dimethylsilylethoxymethyl)-2-[6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazol-3-yl]-6,7-dihydroindole-6-carboxylate?
The InChIKey is JDXTZOUGTUVTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H49N3O4Si2/c1-30(2)12-11-24-27(19-30)33(21-37-14-16-39(6,7)8)31-28(24)26-17-22-9-10-23(29(34)35-3)18-25(22)32(26)20-36-13-15-38(4)5/h9-10,17,23,38H,11-16,18-21H2,1-8H3.
What are the key properties of methyl 1-(2-dimethylsilylethoxymethyl)-2-[6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazol-3-yl]-6,7-dihydroindole-6-carboxylate?
methyl 1-(2-dimethylsilylethoxymethyl)-2-[6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazol-3-yl]-6,7-dihydroindole-6-carboxylate has a molecular weight of 571.91 g/mol, XLogP of 6.00, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-dimethylsilylethoxymethyl)-2-[6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazol-3-yl]-6,7-dihydroindole-6-carboxylate is sourced from PubChem (CID 163672674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).