1-[2-[1-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrrolo[2,3-c]pyridin-5-yl]ethynyl]cyclopentan-1-ol

C24H32N4O2Si — CID 123537843

IUPAC1-[2-[1-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrrolo[2,3-c]pyridin-5-yl]ethynyl]cyclopentan-1-ol
SMILESCn1cc(-c2cnn(COCC[Si](C)(C)C)c2)c2cc(C#CC3(O)CCCC3)ncc21
InChIInChI=1S/C24H32N4O2Si/c1-27-17-22(19-14-26-28(16-19)18-30-11-12-31(2,3)4)21-13-20(25-15-23(21)27)7-10-24(29)8-5-6-9-24/h13-17,29H,5-6,8-9,11-12,18H2,1-4H3
InChIKeyKPLZYJFDCDZRJM-UHFFFAOYSA-N
MW436.63 g/mol
LogP4.41
Rot. Bonds6

About 1-[2-[1-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrrolo[2,3-c]pyridin-5-yl]ethynyl]cyclopentan-1-ol

1-[2-[1-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrrolo[2,3-c]pyridin-5-yl]ethynyl]cyclopentan-1-ol (PubChem CID 123537843) has the molecular formula C24H32N4O2Si and a molecular weight of 436.63 g/mol. Its IUPAC name is 1-[2-[1-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrrolo[2,3-c]pyridin-5-yl]ethynyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[2-[1-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrrolo[2,3-c]pyridin-5-yl]ethynyl]cyclopentan-1-ol
PubChem CID123537843
Molecular FormulaC24H32N4O2Si
Molecular Weight436.63 g/mol
Exact Mass436.23
IUPAC Name1-[2-[1-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrrolo[2,3-c]pyridin-5-yl]ethynyl]cyclopentan-1-ol
SMILESCn1cc(-c2cnn(COCC[Si](C)(C)C)c2)c2cc(C#CC3(O)CCCC3)ncc21
InChIInChI=1S/C24H32N4O2Si/c1-27-17-22(19-14-26-28(16-19)18-30-11-12-31(2,3)4)21-13-20(25-15-23(21)27)7-10-24(29)8-5-6-9-24/h13-17,29H,5-6,8-9,11-12,18H2,1-4H3
InChIKeyKPLZYJFDCDZRJM-UHFFFAOYSA-N
XLogP4.41
TPSA65.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.63
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2-methoxyethyl)-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol
CID 123425682
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
2-[5-bromo-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]indol-1-yl]ethanol
CID 145066841
2-[[4-(5-bromo-1-pentan-3-ylpyrrolo[2,3-c]pyridin-3-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 123479239
trimethyl-[2-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane
CID 140810693
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
1-(2-trimethylsilylethoxymethyl)pyrazol-4-ol
CID 90030095
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
3-(trifluoromethyl)-5-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]benzonitrile
CID 172989981
2-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 140810657
2-[[4-(5-bromo-1H-indol-3-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 145066845

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrrolo[2,3-c]pyridin-5-yl]ethynyl]cyclopentan-1-ol?
The IUPAC name of 1-[2-[1-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrrolo[2,3-c]pyridin-5-yl]ethynyl]cyclopentan-1-ol (CID 123537843) is 1-[2-[1-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrrolo[2,3-c]pyridin-5-yl]ethynyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[2-[1-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrrolo[2,3-c]pyridin-5-yl]ethynyl]cyclopentan-1-ol?
The canonical SMILES for 1-[2-[1-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrrolo[2,3-c]pyridin-5-yl]ethynyl]cyclopentan-1-ol is Cn1cc(-c2cnn(COCC[Si](C)(C)C)c2)c2cc(C#CC3(O)CCCC3)ncc21.
What is the InChIKey of 1-[2-[1-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrrolo[2,3-c]pyridin-5-yl]ethynyl]cyclopentan-1-ol?
The InChIKey is KPLZYJFDCDZRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2Si/c1-27-17-22(19-14-26-28(16-19)18-30-11-12-31(2,3)4)21-13-20(25-15-23(21)27)7-10-24(29)8-5-6-9-24/h13-17,29H,5-6,8-9,11-12,18H2,1-4H3.
What are the key properties of 1-[2-[1-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrrolo[2,3-c]pyridin-5-yl]ethynyl]cyclopentan-1-ol?
1-[2-[1-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrrolo[2,3-c]pyridin-5-yl]ethynyl]cyclopentan-1-ol has a molecular weight of 436.63 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrrolo[2,3-c]pyridin-5-yl]ethynyl]cyclopentan-1-ol is sourced from PubChem (CID 123537843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).