methyl 2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate

C46H54N10O6Si2 — CID 157176262

IUPACmethyl 2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(-n2nccc2-c2ccc3cn(COCC[Si](C)(C)C)nc3c2)c1.COC(=O)c1ccnc(-n2nccc2-c2ccc3cnn(COCC[Si](C)(C)C)c3c2)c1
InChIInChI=1S/2C23H27N5O3Si/c1-30-23(29)18-7-9-24-22(14-18)28-21(8-10-25-28)17-5-6-19-15-27(26-20(19)13-17)16-31-11-12-32(2,3)4;1-30-23(29)18-7-9-24-22(14-18)28-20(8-10-25-28)17-5-6-19-15-26-27(21(19)13-17)16-31-11-12-32(2,3)4/h2*5-10,13-15H,11-12,16H2,1-4H3
InChIKeyAOAQBFXAEBHLJN-UHFFFAOYSA-N
MW899.17 g/mol
LogP8.77
Rot. Bonds16

About methyl 2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate

methyl 2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate (PubChem CID 157176262) has the molecular formula C46H54N10O6Si2 and a molecular weight of 899.17 g/mol. Its IUPAC name is methyl 2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate
PubChem CID157176262
Molecular FormulaC46H54N10O6Si2
Molecular Weight899.17 g/mol
Exact Mass898.38
IUPAC Namemethyl 2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(-n2nccc2-c2ccc3cn(COCC[Si](C)(C)C)nc3c2)c1.COC(=O)c1ccnc(-n2nccc2-c2ccc3cnn(COCC[Si](C)(C)C)c3c2)c1
InChIInChI=1S/2C23H27N5O3Si/c1-30-23(29)18-7-9-24-22(14-18)28-21(8-10-25-28)17-5-6-19-15-27(26-20(19)13-17)16-31-11-12-32(2,3)4;1-30-23(29)18-7-9-24-22(14-18)28-20(8-10-25-28)17-5-6-19-15-26-27(21(19)13-17)16-31-11-12-32(2,3)4/h2*5-10,13-15H,11-12,16H2,1-4H3
InChIKeyAOAQBFXAEBHLJN-UHFFFAOYSA-N
XLogP8.77
TPSA168.12 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500899.17
LogP ≤ 58.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze methyl 2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate with MolForge

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Related Compounds

1,3-Dimethyl-6-(trifluoromethyl)indazole;methyl 2-bromo-5-(2,2-dimethylpropanoyloxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;methyl 5-(2,2-dimethylpropanoyloxymethyl)-2-[1-methyl-6-(trifluoromethyl)indazol-3-yl]pyrrolo[2,3-b]pyrazine-7-carboxylate
CID 160924507
methyl 2-[5-(1H-indazol-6-yl)pyrazol-1-yl]pyridine-4-carboxylate
CID 90205112
Methyl 2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate
CID 90205318
2-[5-[1-(2-Trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90210974
2-[5-[2-(2-Trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90211025
Methyl 2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate
CID 90211074
2-[5-[2-(2-Trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carbonitrile;2-[5-[1-(2-trimethylsilylethoxymethyl)indol-6-yl]pyrazol-1-yl]pyridine-4-carbonitrile
CID 157571588
2-[5-[2-(2-trimethylsilylethoxymethyl)-3aH-indazol-2-ium-6-yl]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 157615015
Methyl 2-bromo-5-(2,2-dimethylpropanoyloxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;methyl 2-(1,6-dimethylindazol-3-yl)-5-(2,2-dimethylpropanoyloxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate
CID 157710878
methyl 2-[5-[2-(2-trimethylsilylethoxymethyl)-3aH-indazol-2-ium-6-yl]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate
CID 159103703
2-[5-[1-(2-Trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carbonitrile;2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carbonitrile
CID 159136575
2-(6-Fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 159237979

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate?
The IUPAC name of methyl 2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate (CID 157176262) is methyl 2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate is COC(=O)c1ccnc(-n2nccc2-c2ccc3cn(COCC[Si](C)(C)C)nc3c2)c1.COC(=O)c1ccnc(-n2nccc2-c2ccc3cnn(COCC[Si](C)(C)C)c3c2)c1.
What is the InChIKey of methyl 2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate?
The InChIKey is AOAQBFXAEBHLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H27N5O3Si/c1-30-23(29)18-7-9-24-22(14-18)28-21(8-10-25-28)17-5-6-19-15-27(26-20(19)13-17)16-31-11-12-32(2,3)4;1-30-23(29)18-7-9-24-22(14-18)28-20(8-10-25-28)17-5-6-19-15-26-27(21(19)13-17)16-31-11-12-32(2,3)4/h2*5-10,13-15H,11-12,16H2,1-4H3.
What are the key properties of methyl 2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate?
methyl 2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate has a molecular weight of 899.17 g/mol, XLogP of 8.77, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylate is sourced from PubChem (CID 157176262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).