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

C15H23N3O3Si — CID 170590267

IUPACmethyl 5-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carboxylate
SMILESCOC(=O)c1nn(COCC[Si](C)(C)C)c2cnc(C)cc12
InChIInChI=1S/C15H23N3O3Si/c1-11-8-12-13(9-16-11)18(17-14(12)15(19)20-2)10-21-6-7-22(3,4)5/h8-9H,6-7,10H2,1-5H3
InChIKeyXZBVQRRBCRTBAJ-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.84
Rot. Bonds6

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

methyl 5-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carboxylate (PubChem CID 170590267) has the molecular formula C15H23N3O3Si and a molecular weight of 321.45 g/mol. Its IUPAC name is methyl 5-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carboxylate
PubChem CID170590267
Molecular FormulaC15H23N3O3Si
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Namemethyl 5-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carboxylate
SMILESCOC(=O)c1nn(COCC[Si](C)(C)C)c2cnc(C)cc12
InChIInChI=1S/C15H23N3O3Si/c1-11-8-12-13(9-16-11)18(17-14(12)15(19)20-2)10-21-6-7-22(3,4)5/h8-9H,6-7,10H2,1-5H3
InChIKeyXZBVQRRBCRTBAJ-UHFFFAOYSA-N
XLogP2.84
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-(3-aminophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxylate
CID 162527237
methyl 5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate
CID 171830742
methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate
CID 160822051
5-iodo-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylic acid
CID 57495793
methyl 7-fluoro-4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate
CID 155711472
methyl 5-nitro-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate
CID 166058271
methyl 6-amino-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 169304257
methyl 5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-indazole-3-carboxylate;methyl 5-(1-propylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate
CID 159062538
N-methyl-5-[3-(prop-2-enoylamino)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxamide
CID 175886392
methyl 4-nitroso-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate
CID 175614777
2-[[3-(1-ethoxyethenyl)-5-nitroindazol-1-yl]methoxy]ethyl-trimethylsilane
CID 155574757
methyl 6-(2,6-difluoro-3-nitrophenyl)-7-fluoro-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate
CID 155711389

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carboxylate?
The IUPAC name of methyl 5-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carboxylate (CID 170590267) is methyl 5-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carboxylate is COC(=O)c1nn(COCC[Si](C)(C)C)c2cnc(C)cc12.
What is the InChIKey of methyl 5-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carboxylate?
The InChIKey is XZBVQRRBCRTBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3Si/c1-11-8-12-13(9-16-11)18(17-14(12)15(19)20-2)10-21-6-7-22(3,4)5/h8-9H,6-7,10H2,1-5H3.
What are the key properties of methyl 5-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carboxylate?
methyl 5-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carboxylate has a molecular weight of 321.45 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carboxylate is sourced from PubChem (CID 170590267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).