2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylic acid

C22H25N5O3Si — CID 90211025

IUPAC2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESC[Si](C)(C)CCOCn1cc2ccc(-c3ccnn3-c3cc(C(=O)O)ccn3)cc2n1
InChIInChI=1S/C22H25N5O3Si/c1-31(2,3)11-10-30-15-26-14-18-5-4-16(12-19(18)25-26)20-7-9-24-27(20)21-13-17(22(28)29)6-8-23-21/h4-9,12-14H,10-11,15H2,1-3H3,(H,28,29)
InChIKeyYNKPFEHSXYAIBU-UHFFFAOYSA-N
MW435.56 g/mol
LogP4.29
Rot. Bonds8

About 2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylic acid

2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylic acid (PubChem CID 90211025) has the molecular formula C22H25N5O3Si and a molecular weight of 435.56 g/mol. Its IUPAC name is 2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylic acid
PubChem CID90211025
Molecular FormulaC22H25N5O3Si
Molecular Weight435.56 g/mol
Exact Mass435.17
IUPAC Name2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESC[Si](C)(C)CCOCn1cc2ccc(-c3ccnn3-c3cc(C(=O)O)ccn3)cc2n1
InChIInChI=1S/C22H25N5O3Si/c1-31(2,3)11-10-30-15-26-14-18-5-4-16(12-19(18)25-26)20-7-9-24-27(20)21-13-17(22(28)29)6-8-23-21/h4-9,12-14H,10-11,15H2,1-3H3,(H,28,29)
InChIKeyYNKPFEHSXYAIBU-UHFFFAOYSA-N
XLogP4.29
TPSA95.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.56
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylic acid (CID 90211025) is 2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylic acid is C[Si](C)(C)CCOCn1cc2ccc(-c3ccnn3-c3cc(C(=O)O)ccn3)cc2n1.
What is the InChIKey of 2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylic acid?
The InChIKey is YNKPFEHSXYAIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3Si/c1-31(2,3)11-10-30-15-26-14-18-5-4-16(12-19(18)25-26)20-7-9-24-27(20)21-13-17(22(28)29)6-8-23-21/h4-9,12-14H,10-11,15H2,1-3H3,(H,28,29).
What are the key properties of 2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylic acid?
2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylic acid has a molecular weight of 435.56 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90211025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).