4-[(E)-2-pyridin-4-ylethenyl]-1-(2-trimethylsilylethoxymethyl)indazole-6-carbaldehyde

C21H25N3O2Si — CID 86651955

IUPAC4-[(E)-2-pyridin-4-ylethenyl]-1-(2-trimethylsilylethoxymethyl)indazole-6-carbaldehyde
SMILESC[Si](C)(C)CCOCn1ncc2c(/C=C/c3ccncc3)cc(C=O)cc21
InChIInChI=1S/C21H25N3O2Si/c1-27(2,3)11-10-26-16-24-21-13-18(15-25)12-19(20(21)14-23-24)5-4-17-6-8-22-9-7-17/h4-9,12-15H,10-11,16H2,1-3H3/b5-4+
InChIKeySNUOMBCJGILNAU-SNAWJCMRSA-N
MW379.54 g/mol
LogP4.73
Rot. Bonds8

About 4-[(E)-2-pyridin-4-ylethenyl]-1-(2-trimethylsilylethoxymethyl)indazole-6-carbaldehyde

4-[(E)-2-pyridin-4-ylethenyl]-1-(2-trimethylsilylethoxymethyl)indazole-6-carbaldehyde (PubChem CID 86651955) has the molecular formula C21H25N3O2Si and a molecular weight of 379.54 g/mol. Its IUPAC name is 4-[(E)-2-pyridin-4-ylethenyl]-1-(2-trimethylsilylethoxymethyl)indazole-6-carbaldehyde.

Molecular Properties

Compound Name4-[(E)-2-pyridin-4-ylethenyl]-1-(2-trimethylsilylethoxymethyl)indazole-6-carbaldehyde
PubChem CID86651955
Molecular FormulaC21H25N3O2Si
Molecular Weight379.54 g/mol
Exact Mass379.17
IUPAC Name4-[(E)-2-pyridin-4-ylethenyl]-1-(2-trimethylsilylethoxymethyl)indazole-6-carbaldehyde
SMILESC[Si](C)(C)CCOCn1ncc2c(/C=C/c3ccncc3)cc(C=O)cc21
InChIInChI=1S/C21H25N3O2Si/c1-27(2,3)11-10-26-16-24-21-13-18(15-25)12-19(20(21)14-23-24)5-4-17-6-8-22-9-7-17/h4-9,12-15H,10-11,16H2,1-3H3/b5-4+
InChIKeySNUOMBCJGILNAU-SNAWJCMRSA-N
XLogP4.73
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.54
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 4-[(E)-2-pyridin-4-ylethenyl]-1-(2-trimethylsilylethoxymethyl)indazole-6-carbaldehyde?
The IUPAC name of 4-[(E)-2-pyridin-4-ylethenyl]-1-(2-trimethylsilylethoxymethyl)indazole-6-carbaldehyde (CID 86651955) is 4-[(E)-2-pyridin-4-ylethenyl]-1-(2-trimethylsilylethoxymethyl)indazole-6-carbaldehyde.
What is the SMILES notation for 4-[(E)-2-pyridin-4-ylethenyl]-1-(2-trimethylsilylethoxymethyl)indazole-6-carbaldehyde?
The canonical SMILES for 4-[(E)-2-pyridin-4-ylethenyl]-1-(2-trimethylsilylethoxymethyl)indazole-6-carbaldehyde is C[Si](C)(C)CCOCn1ncc2c(/C=C/c3ccncc3)cc(C=O)cc21.
What is the InChIKey of 4-[(E)-2-pyridin-4-ylethenyl]-1-(2-trimethylsilylethoxymethyl)indazole-6-carbaldehyde?
The InChIKey is SNUOMBCJGILNAU-SNAWJCMRSA-N. The full InChI is InChI=1S/C21H25N3O2Si/c1-27(2,3)11-10-26-16-24-21-13-18(15-25)12-19(20(21)14-23-24)5-4-17-6-8-22-9-7-17/h4-9,12-15H,10-11,16H2,1-3H3/b5-4+.
What are the key properties of 4-[(E)-2-pyridin-4-ylethenyl]-1-(2-trimethylsilylethoxymethyl)indazole-6-carbaldehyde?
4-[(E)-2-pyridin-4-ylethenyl]-1-(2-trimethylsilylethoxymethyl)indazole-6-carbaldehyde has a molecular weight of 379.54 g/mol, XLogP of 4.73, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-pyridin-4-ylethenyl]-1-(2-trimethylsilylethoxymethyl)indazole-6-carbaldehyde is sourced from PubChem (CID 86651955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).