2-[[5-(3-ethenylphenyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C27H31N3O2Si — CID 59824926

IUPAC2-[[5-(3-ethenylphenyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC=Cc1cccc(-c2cnc3c(c2)c(-c2ccccc2OC)nn3COCC[Si](C)(C)C)c1
InChIInChI=1S/C27H31N3O2Si/c1-6-20-10-9-11-21(16-20)22-17-24-26(23-12-7-8-13-25(23)31-2)29-30(27(24)28-18-22)19-32-14-15-33(3,4)5/h6-13,16-18H,1,14-15,19H2,2-5H3
InChIKeyWCRBGAZPJVGTNO-UHFFFAOYSA-N
MW457.65 g/mol
LogP6.73
Rot. Bonds9

About 2-[[5-(3-ethenylphenyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-(3-ethenylphenyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 59824926) has the molecular formula C27H31N3O2Si and a molecular weight of 457.65 g/mol. Its IUPAC name is 2-[[5-(3-ethenylphenyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-(3-ethenylphenyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID59824926
Molecular FormulaC27H31N3O2Si
Molecular Weight457.65 g/mol
Exact Mass457.22
IUPAC Name2-[[5-(3-ethenylphenyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC=Cc1cccc(-c2cnc3c(c2)c(-c2ccccc2OC)nn3COCC[Si](C)(C)C)c1
InChIInChI=1S/C27H31N3O2Si/c1-6-20-10-9-11-21(16-20)22-17-24-26(23-12-7-8-13-25(23)31-2)29-30(27(24)28-18-22)19-32-14-15-33(3,4)5/h6-13,16-18H,1,14-15,19H2,2-5H3
InChIKeyWCRBGAZPJVGTNO-UHFFFAOYSA-N
XLogP6.73
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.65
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[5-(3-ethenylphenyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-ethenylphenyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-(3-ethenylphenyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 59824926) is 2-[[5-(3-ethenylphenyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-(3-ethenylphenyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-(3-ethenylphenyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is C=Cc1cccc(-c2cnc3c(c2)c(-c2ccccc2OC)nn3COCC[Si](C)(C)C)c1.
What is the InChIKey of 2-[[5-(3-ethenylphenyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is WCRBGAZPJVGTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2Si/c1-6-20-10-9-11-21(16-20)22-17-24-26(23-12-7-8-13-25(23)31-2)29-30(27(24)28-18-22)19-32-14-15-33(3,4)5/h6-13,16-18H,1,14-15,19H2,2-5H3.
What are the key properties of 2-[[5-(3-ethenylphenyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-(3-ethenylphenyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 457.65 g/mol, XLogP of 6.73, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-ethenylphenyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 59824926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).