4-[1-(2-methoxyethyl)-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol

C24H34N4O3Si — CID 123425682

IUPAC4-[1-(2-methoxyethyl)-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol
SMILESCOCCn1cc(-c2cnn(COCC[Si](C)(C)C)c2)c2cc(C#CC(C)(C)O)ncc21
InChIInChI=1S/C24H34N4O3Si/c1-24(2,29)8-7-20-13-21-22(17-27(9-10-30-3)23(21)15-25-20)19-14-26-28(16-19)18-31-11-12-32(4,5)6/h13-17,29H,9-12,18H2,1-6H3
InChIKeyAFNCQEVSSHSGOS-UHFFFAOYSA-N
MW454.65 g/mol
LogP3.98
Rot. Bonds9

About 4-[1-(2-methoxyethyl)-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol

4-[1-(2-methoxyethyl)-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol (PubChem CID 123425682) has the molecular formula C24H34N4O3Si and a molecular weight of 454.65 g/mol. Its IUPAC name is 4-[1-(2-methoxyethyl)-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol.

Molecular Properties

Compound Name4-[1-(2-methoxyethyl)-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol
PubChem CID123425682
Molecular FormulaC24H34N4O3Si
Molecular Weight454.65 g/mol
Exact Mass454.24
IUPAC Name4-[1-(2-methoxyethyl)-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol
SMILESCOCCn1cc(-c2cnn(COCC[Si](C)(C)C)c2)c2cc(C#CC(C)(C)O)ncc21
InChIInChI=1S/C24H34N4O3Si/c1-24(2,29)8-7-20-13-21-22(17-27(9-10-30-3)23(21)15-25-20)19-14-26-28(16-19)18-31-11-12-32(4,5)6/h13-17,29H,9-12,18H2,1-6H3
InChIKeyAFNCQEVSSHSGOS-UHFFFAOYSA-N
XLogP3.98
TPSA74.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.65
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[1-benzylsulfonyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol
CID 123340268
1-[2-[1-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrrolo[2,3-c]pyridin-5-yl]ethynyl]cyclopentan-1-ol
CID 123537843
2-[5-bromo-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]indol-1-yl]ethanol
CID 145066841
4-[3-[3-chloro-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]pyrazol-4-yl]-1-ethylpyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol
CID 134545915
4-[5-bromo-3-[1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]pyrazol-4-yl]pyrrolo[2,3-c]pyridin-1-yl]-2-methylbutan-2-ol
CID 134545929
2-[[4-(5-bromo-1-pentan-3-ylpyrrolo[2,3-c]pyridin-3-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 123479239
4-[1-(4-methylphenyl)sulfonyl-3-[1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]pyrazol-4-yl]pyrrolo[2,3-c]pyridin-5-yl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol
CID 134545922
trimethyl-[2-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane
CID 140810693
2-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 140810657
4-[3-(2-aminopyrimidin-4-yl)-1-[3-(methylamino)propyl]pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol
CID 144736544
trimethyl-[2-[[4-(2-methylquinolin-4-yl)pyrazol-1-yl]methoxy]ethyl]silane
CID 167445677
3-chloro-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]benzonitrile
CID 172914739

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methoxyethyl)-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol?
The IUPAC name of 4-[1-(2-methoxyethyl)-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol (CID 123425682) is 4-[1-(2-methoxyethyl)-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol.
What is the SMILES notation for 4-[1-(2-methoxyethyl)-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol?
The canonical SMILES for 4-[1-(2-methoxyethyl)-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol is COCCn1cc(-c2cnn(COCC[Si](C)(C)C)c2)c2cc(C#CC(C)(C)O)ncc21.
What is the InChIKey of 4-[1-(2-methoxyethyl)-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol?
The InChIKey is AFNCQEVSSHSGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3Si/c1-24(2,29)8-7-20-13-21-22(17-27(9-10-30-3)23(21)15-25-20)19-14-26-28(16-19)18-31-11-12-32(4,5)6/h13-17,29H,9-12,18H2,1-6H3.
What are the key properties of 4-[1-(2-methoxyethyl)-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol?
4-[1-(2-methoxyethyl)-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol has a molecular weight of 454.65 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methoxyethyl)-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol is sourced from PubChem (CID 123425682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).