2-[5-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-N-methylbenzamide

C20H25ClN4O2Si — CID 175820295

IUPAC2-[5-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1-c1nn(COCC[Si](C)(C)C)c2cnc(Cl)cc12
InChIInChI=1S/C20H25ClN4O2Si/c1-22-20(26)15-8-6-5-7-14(15)19-16-11-18(21)23-12-17(16)25(24-19)13-27-9-10-28(2,3)4/h5-8,11-12H,9-10,13H2,1-4H3,(H,22,26)
InChIKeySQXBJQYUPPRNLL-UHFFFAOYSA-N
MW416.99 g/mol
LogP4.42
Rot. Bonds7

About 2-[5-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-N-methylbenzamide

2-[5-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-N-methylbenzamide (PubChem CID 175820295) has the molecular formula C20H25ClN4O2Si and a molecular weight of 416.99 g/mol. Its IUPAC name is 2-[5-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-N-methylbenzamide.

Molecular Properties

Compound Name2-[5-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-N-methylbenzamide
PubChem CID175820295
Molecular FormulaC20H25ClN4O2Si
Molecular Weight416.99 g/mol
Exact Mass416.14
IUPAC Name2-[5-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1-c1nn(COCC[Si](C)(C)C)c2cnc(Cl)cc12
InChIInChI=1S/C20H25ClN4O2Si/c1-22-20(26)15-8-6-5-7-14(15)19-16-11-18(21)23-12-17(16)25(24-19)13-27-9-10-28(2,3)4/h5-8,11-12H,9-10,13H2,1-4H3,(H,22,26)
InChIKeySQXBJQYUPPRNLL-UHFFFAOYSA-N
XLogP4.42
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.99
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[[5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 171933248
trimethyl-[2-[[5-(2-methylphenyl)-3-phenylindazol-1-yl]methoxy]ethyl]silane
CID 22352427
methyl 5-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carboxylate
CID 170590267
2-[[3-(2-chloropyrimidin-4-yl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 86676701
N-methyl-5-[3-(prop-2-enoylamino)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxamide
CID 175886392
2-[[3-(2-bromo-5-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 171839827
2-[[6-chloro-2-(2-methylphenyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 157374933
2-[[3-(6-chloro-3-pyridinyl)-5-(2,3-dimethylphenyl)-6-methoxypyrazolo[4,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 156674730
6-chloro-N-[(4-chlorophenyl)methyl]-3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazine-4-carboxamide
CID 69217418
tert-butyl N-[3-[[4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoyl]amino]propyl]carbamate
CID 54577000
methyl 5-(3-aminophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxylate
CID 162527237
2-[[6-chloro-3-[2-(trideuteriomethoxy)phenyl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 163251763

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-N-methylbenzamide?
The IUPAC name of 2-[5-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-N-methylbenzamide (CID 175820295) is 2-[5-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-N-methylbenzamide.
What is the SMILES notation for 2-[5-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-N-methylbenzamide?
The canonical SMILES for 2-[5-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-N-methylbenzamide is CNC(=O)c1ccccc1-c1nn(COCC[Si](C)(C)C)c2cnc(Cl)cc12.
What is the InChIKey of 2-[5-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-N-methylbenzamide?
The InChIKey is SQXBJQYUPPRNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O2Si/c1-22-20(26)15-8-6-5-7-14(15)19-16-11-18(21)23-12-17(16)25(24-19)13-27-9-10-28(2,3)4/h5-8,11-12H,9-10,13H2,1-4H3,(H,22,26).
What are the key properties of 2-[5-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-N-methylbenzamide?
2-[5-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-N-methylbenzamide has a molecular weight of 416.99 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-N-methylbenzamide is sourced from PubChem (CID 175820295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).