methyl 5-(3-aminophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxylate

C20H26N4O3Si — CID 162527237

IUPACmethyl 5-(3-aminophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxylate
SMILESCOC(=O)c1nn(COCC[Si](C)(C)C)c2cnc(-c3cccc(N)c3)cc12
InChIInChI=1S/C20H26N4O3Si/c1-26-20(25)19-16-11-17(14-6-5-7-15(21)10-14)22-12-18(16)24(23-19)13-27-8-9-28(2,3)4/h5-7,10-12H,8-9,13,21H2,1-4H3
InChIKeyXIUANWXFCZRJGP-UHFFFAOYSA-N
MW398.54 g/mol
LogP3.78
Rot. Bonds7

About methyl 5-(3-aminophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxylate

methyl 5-(3-aminophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxylate (PubChem CID 162527237) has the molecular formula C20H26N4O3Si and a molecular weight of 398.54 g/mol. Its IUPAC name is methyl 5-(3-aminophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-aminophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxylate
PubChem CID162527237
Molecular FormulaC20H26N4O3Si
Molecular Weight398.54 g/mol
Exact Mass398.18
IUPAC Namemethyl 5-(3-aminophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxylate
SMILESCOC(=O)c1nn(COCC[Si](C)(C)C)c2cnc(-c3cccc(N)c3)cc12
InChIInChI=1S/C20H26N4O3Si/c1-26-20(25)19-16-11-17(14-6-5-7-15(21)10-14)22-12-18(16)24(23-19)13-27-8-9-28(2,3)4/h5-7,10-12H,8-9,13,21H2,1-4H3
InChIKeyXIUANWXFCZRJGP-UHFFFAOYSA-N
XLogP3.78
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.54
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-aminophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxylate?
The IUPAC name of methyl 5-(3-aminophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxylate (CID 162527237) is methyl 5-(3-aminophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-(3-aminophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-(3-aminophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxylate is COC(=O)c1nn(COCC[Si](C)(C)C)c2cnc(-c3cccc(N)c3)cc12.
What is the InChIKey of methyl 5-(3-aminophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxylate?
The InChIKey is XIUANWXFCZRJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3Si/c1-26-20(25)19-16-11-17(14-6-5-7-15(21)10-14)22-12-18(16)24(23-19)13-27-8-9-28(2,3)4/h5-7,10-12H,8-9,13,21H2,1-4H3.
What are the key properties of methyl 5-(3-aminophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxylate?
methyl 5-(3-aminophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxylate has a molecular weight of 398.54 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-aminophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxylate is sourced from PubChem (CID 162527237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).