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

C29H37N3O2Si — CID 151074126

IUPAC2-[[5-(3-butylphenyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCCCCc1cccc(-c2cnc3c(c2)c(-c2ccccc2OC)nn3COCC[Si](C)(C)C)c1
InChIInChI=1S/C29H37N3O2Si/c1-6-7-11-22-12-10-13-23(18-22)24-19-26-28(25-14-8-9-15-27(25)33-2)31-32(29(26)30-20-24)21-34-16-17-35(3,4)5/h8-10,12-15,18-20H,6-7,11,16-17,21H2,1-5H3
InChIKeyMITBNDZYLZLZND-UHFFFAOYSA-N
MW487.72 g/mol
LogP7.43
Rot. Bonds11

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

2-[[5-(3-butylphenyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 151074126) has the molecular formula C29H37N3O2Si and a molecular weight of 487.72 g/mol. Its IUPAC name is 2-[[5-(3-butylphenyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-(3-butylphenyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID151074126
Molecular FormulaC29H37N3O2Si
Molecular Weight487.72 g/mol
Exact Mass487.27
IUPAC Name2-[[5-(3-butylphenyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCCCCc1cccc(-c2cnc3c(c2)c(-c2ccccc2OC)nn3COCC[Si](C)(C)C)c1
InChIInChI=1S/C29H37N3O2Si/c1-6-7-11-22-12-10-13-23(18-22)24-19-26-28(25-14-8-9-15-27(25)33-2)31-32(29(26)30-20-24)21-34-16-17-35(3,4)5/h8-10,12-15,18-20H,6-7,11,16-17,21H2,1-5H3
InChIKeyMITBNDZYLZLZND-UHFFFAOYSA-N
XLogP7.43
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.72
LogP ≤ 57.43
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-butylphenyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-(3-butylphenyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 151074126) is 2-[[5-(3-butylphenyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-(3-butylphenyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-(3-butylphenyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is CCCCc1cccc(-c2cnc3c(c2)c(-c2ccccc2OC)nn3COCC[Si](C)(C)C)c1.
What is the InChIKey of 2-[[5-(3-butylphenyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is MITBNDZYLZLZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O2Si/c1-6-7-11-22-12-10-13-23(18-22)24-19-26-28(25-14-8-9-15-27(25)33-2)31-32(29(26)30-20-24)21-34-16-17-35(3,4)5/h8-10,12-15,18-20H,6-7,11,16-17,21H2,1-5H3.
What are the key properties of 2-[[5-(3-butylphenyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-(3-butylphenyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 487.72 g/mol, XLogP of 7.43, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-butylphenyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 151074126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).