4-[4-methyl-3-prop-1-en-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]piperazine-1-carboxylic acid

C22H34N4O3Si — CID 175071598

IUPAC4-[4-methyl-3-prop-1-en-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]piperazine-1-carboxylic acid
SMILESC=C(C)c1cn(COCC[Si](C)(C)C)c2cnc(N3CCN(C(=O)O)CC3)c(C)c12
InChIInChI=1S/C22H34N4O3Si/c1-16(2)18-14-26(15-29-11-12-30(4,5)6)19-13-23-21(17(3)20(18)19)24-7-9-25(10-8-24)22(27)28/h13-14H,1,7-12,15H2,2-6H3,(H,27,28)
InChIKeyINSRIFPRJDIOQZ-UHFFFAOYSA-N
MW430.63 g/mol
LogP4.49
Rot. Bonds7

About 4-[4-methyl-3-prop-1-en-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]piperazine-1-carboxylic acid

4-[4-methyl-3-prop-1-en-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]piperazine-1-carboxylic acid (PubChem CID 175071598) has the molecular formula C22H34N4O3Si and a molecular weight of 430.63 g/mol. Its IUPAC name is 4-[4-methyl-3-prop-1-en-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-methyl-3-prop-1-en-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]piperazine-1-carboxylic acid
PubChem CID175071598
Molecular FormulaC22H34N4O3Si
Molecular Weight430.63 g/mol
Exact Mass430.24
IUPAC Name4-[4-methyl-3-prop-1-en-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]piperazine-1-carboxylic acid
SMILESC=C(C)c1cn(COCC[Si](C)(C)C)c2cnc(N3CCN(C(=O)O)CC3)c(C)c12
InChIInChI=1S/C22H34N4O3Si/c1-16(2)18-14-26(15-29-11-12-30(4,5)6)19-13-23-21(17(3)20(18)19)24-7-9-25(10-8-24)22(27)28/h13-14H,1,7-12,15H2,2-6H3,(H,27,28)
InChIKeyINSRIFPRJDIOQZ-UHFFFAOYSA-N
XLogP4.49
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.63
LogP ≤ 54.49
H-Bond Donors ≤ 51
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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Related Compounds

2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 161107897
4-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
CID 142729257
2-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 89453202
ethyl 5-formyl-4-methyl-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate
CID 90036511
2-(6-fluoro-3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 71280602
2-[(6-methyl-2-pyridinyl)oxy]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 67125213
4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carboxylic acid
CID 141315989
2-methyl-3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylic acid
CID 166022930
1-(2-trimethylsilylethoxymethyl)imidazole-2,4-dicarboxylic acid
CID 159721123
1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]ethenol
CID 88906942
2-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]acetic acid
CID 22170985
2-(6-chloro-4-fluoro-1H-indazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 71280164

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-3-prop-1-en-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[4-methyl-3-prop-1-en-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]piperazine-1-carboxylic acid (CID 175071598) is 4-[4-methyl-3-prop-1-en-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[4-methyl-3-prop-1-en-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[4-methyl-3-prop-1-en-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]piperazine-1-carboxylic acid is C=C(C)c1cn(COCC[Si](C)(C)C)c2cnc(N3CCN(C(=O)O)CC3)c(C)c12.
What is the InChIKey of 4-[4-methyl-3-prop-1-en-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]piperazine-1-carboxylic acid?
The InChIKey is INSRIFPRJDIOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O3Si/c1-16(2)18-14-26(15-29-11-12-30(4,5)6)19-13-23-21(17(3)20(18)19)24-7-9-25(10-8-24)22(27)28/h13-14H,1,7-12,15H2,2-6H3,(H,27,28).
What are the key properties of 4-[4-methyl-3-prop-1-en-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]piperazine-1-carboxylic acid?
4-[4-methyl-3-prop-1-en-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]piperazine-1-carboxylic acid has a molecular weight of 430.63 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-3-prop-1-en-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]piperazine-1-carboxylic acid is sourced from PubChem (CID 175071598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).