3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]benzaldehyde

C26H29N3O3Si — CID 59836136

IUPAC3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]benzaldehyde
SMILESCOc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cccc(C=O)c3)cc12
InChIInChI=1S/C26H29N3O3Si/c1-31-24-11-6-5-10-22(24)25-23-15-21(20-9-7-8-19(14-20)17-30)16-27-26(23)29(28-25)18-32-12-13-33(2,3)4/h5-11,14-17H,12-13,18H2,1-4H3
InChIKeyUKFQPFQNUFTATK-UHFFFAOYSA-N
MW459.62 g/mol
LogP5.90
Rot. Bonds9

About 3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]benzaldehyde

3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]benzaldehyde (PubChem CID 59836136) has the molecular formula C26H29N3O3Si and a molecular weight of 459.62 g/mol. Its IUPAC name is 3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]benzaldehyde.

Molecular Properties

Compound Name3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]benzaldehyde
PubChem CID59836136
Molecular FormulaC26H29N3O3Si
Molecular Weight459.62 g/mol
Exact Mass459.20
IUPAC Name3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]benzaldehyde
SMILESCOc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cccc(C=O)c3)cc12
InChIInChI=1S/C26H29N3O3Si/c1-31-24-11-6-5-10-22(24)25-23-15-21(20-9-7-8-19(14-20)17-30)16-27-26(23)29(28-25)18-32-12-13-33(2,3)4/h5-11,14-17H,12-13,18H2,1-4H3
InChIKeyUKFQPFQNUFTATK-UHFFFAOYSA-N
XLogP5.90
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.62
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]benzaldehyde?
The IUPAC name of 3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]benzaldehyde (CID 59836136) is 3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]benzaldehyde.
What is the SMILES notation for 3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]benzaldehyde?
The canonical SMILES for 3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]benzaldehyde is COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cccc(C=O)c3)cc12.
What is the InChIKey of 3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]benzaldehyde?
The InChIKey is UKFQPFQNUFTATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3Si/c1-31-24-11-6-5-10-22(24)25-23-15-21(20-9-7-8-19(14-20)17-30)16-27-26(23)29(28-25)18-32-12-13-33(2,3)4/h5-11,14-17H,12-13,18H2,1-4H3.
What are the key properties of 3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]benzaldehyde?
3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]benzaldehyde has a molecular weight of 459.62 g/mol, XLogP of 5.90, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]benzaldehyde is sourced from PubChem (CID 59836136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).