3-(6-chloropyrimidin-4-yl)-2-(2-trimethylsilylethoxymethyl)indazol-5-ol

C17H21ClN4O2Si — CID 136640945

IUPAC3-(6-chloropyrimidin-4-yl)-2-(2-trimethylsilylethoxymethyl)indazol-5-ol
SMILESC[Si](C)(C)CCOCn1nc2ccc(O)cc2c1-c1cc(Cl)ncn1
InChIInChI=1S/C17H21ClN4O2Si/c1-25(2,3)7-6-24-11-22-17(15-9-16(18)20-10-19-15)13-8-12(23)4-5-14(13)21-22/h4-5,8-10,23H,6-7,11H2,1-3H3
InChIKeyXZGQRGCCXKMHPE-UHFFFAOYSA-N
MW376.92 g/mol
LogP4.16
Rot. Bonds6

About 3-(6-chloropyrimidin-4-yl)-2-(2-trimethylsilylethoxymethyl)indazol-5-ol

3-(6-chloropyrimidin-4-yl)-2-(2-trimethylsilylethoxymethyl)indazol-5-ol (PubChem CID 136640945) has the molecular formula C17H21ClN4O2Si and a molecular weight of 376.92 g/mol. Its IUPAC name is 3-(6-chloropyrimidin-4-yl)-2-(2-trimethylsilylethoxymethyl)indazol-5-ol.

Molecular Properties

Compound Name3-(6-chloropyrimidin-4-yl)-2-(2-trimethylsilylethoxymethyl)indazol-5-ol
PubChem CID136640945
Molecular FormulaC17H21ClN4O2Si
Molecular Weight376.92 g/mol
Exact Mass376.11
IUPAC Name3-(6-chloropyrimidin-4-yl)-2-(2-trimethylsilylethoxymethyl)indazol-5-ol
SMILESC[Si](C)(C)CCOCn1nc2ccc(O)cc2c1-c1cc(Cl)ncn1
InChIInChI=1S/C17H21ClN4O2Si/c1-25(2,3)7-6-24-11-22-17(15-9-16(18)20-10-19-15)13-8-12(23)4-5-14(13)21-22/h4-5,8-10,23H,6-7,11H2,1-3H3
InChIKeyXZGQRGCCXKMHPE-UHFFFAOYSA-N
XLogP4.16
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.92
LogP ≤ 54.16
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloropyrimidin-4-yl)-2-(2-trimethylsilylethoxymethyl)indazol-5-ol?
The IUPAC name of 3-(6-chloropyrimidin-4-yl)-2-(2-trimethylsilylethoxymethyl)indazol-5-ol (CID 136640945) is 3-(6-chloropyrimidin-4-yl)-2-(2-trimethylsilylethoxymethyl)indazol-5-ol.
What is the SMILES notation for 3-(6-chloropyrimidin-4-yl)-2-(2-trimethylsilylethoxymethyl)indazol-5-ol?
The canonical SMILES for 3-(6-chloropyrimidin-4-yl)-2-(2-trimethylsilylethoxymethyl)indazol-5-ol is C[Si](C)(C)CCOCn1nc2ccc(O)cc2c1-c1cc(Cl)ncn1.
What is the InChIKey of 3-(6-chloropyrimidin-4-yl)-2-(2-trimethylsilylethoxymethyl)indazol-5-ol?
The InChIKey is XZGQRGCCXKMHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2Si/c1-25(2,3)7-6-24-11-22-17(15-9-16(18)20-10-19-15)13-8-12(23)4-5-14(13)21-22/h4-5,8-10,23H,6-7,11H2,1-3H3.
What are the key properties of 3-(6-chloropyrimidin-4-yl)-2-(2-trimethylsilylethoxymethyl)indazol-5-ol?
3-(6-chloropyrimidin-4-yl)-2-(2-trimethylsilylethoxymethyl)indazol-5-ol has a molecular weight of 376.92 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloropyrimidin-4-yl)-2-(2-trimethylsilylethoxymethyl)indazol-5-ol is sourced from PubChem (CID 136640945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).