5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridine-2-carbaldehyde

C15H22N2O3Si — CID 174175818

IUPAC5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridine-2-carbaldehyde
SMILESCn1ccc2c(cc(C=O)n2COCC[Si](C)(C)C)c1=O
InChIInChI=1S/C15H22N2O3Si/c1-16-6-5-14-13(15(16)19)9-12(10-18)17(14)11-20-7-8-21(2,3)4/h5-6,9-10H,7-8,11H2,1-4H3
InChIKeyHQNMJZAZGDMCGN-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.46
Rot. Bonds6

About 5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridine-2-carbaldehyde

5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridine-2-carbaldehyde (PubChem CID 174175818) has the molecular formula C15H22N2O3Si and a molecular weight of 306.44 g/mol. Its IUPAC name is 5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridine-2-carbaldehyde
PubChem CID174175818
Molecular FormulaC15H22N2O3Si
Molecular Weight306.44 g/mol
Exact Mass306.14
IUPAC Name5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridine-2-carbaldehyde
SMILESCn1ccc2c(cc(C=O)n2COCC[Si](C)(C)C)c1=O
InChIInChI=1S/C15H22N2O3Si/c1-16-6-5-14-13(15(16)19)9-12(10-18)17(14)11-20-7-8-21(2,3)4/h5-6,9-10H,7-8,11H2,1-4H3
InChIKeyHQNMJZAZGDMCGN-UHFFFAOYSA-N
XLogP2.46
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-formyl-7-oxo-1-(2-trimethylsilylethoxymethyl)-6H-pyrrolo[2,3-c]pyridine-4-carbonitrile
CID 172608767
1-(2-trimethylsilylethoxymethyl)pyrazole-3,5-dicarbaldehyde
CID 164719027
1-(2-trimethylsilylethoxymethyl)pyrrole-3-carbaldehyde
CID 91103274
1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carbaldehyde
CID 140830721
2-methyl-N-[2-[(2R)-1-methylpiperidin-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-1-oxoisoquinoline-6-carboxamide
CID 171474775
2,7-dichloro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 156800676
5-methyl-1-(2-trimethylsilylethoxymethyl)indazole-4-carbaldehyde
CID 164900212
4-methyl-5-phenyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde
CID 22018699
1-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde
CID 22486277
5-methoxy-3-(2-trimethylsilylethoxymethyl)-1H-pyrimidine-2,4-dione
CID 67594826
6-(4-amino-2,6-dichlorophenoxy)-3-methyl-1-(2-trimethylsilylethoxymethyl)quinolin-2-one
CID 155637455
3-(cyclopropylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carbaldehyde
CID 171529389

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridine-2-carbaldehyde?
The IUPAC name of 5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridine-2-carbaldehyde (CID 174175818) is 5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridine-2-carbaldehyde.
What is the SMILES notation for 5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridine-2-carbaldehyde?
The canonical SMILES for 5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridine-2-carbaldehyde is Cn1ccc2c(cc(C=O)n2COCC[Si](C)(C)C)c1=O.
What is the InChIKey of 5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridine-2-carbaldehyde?
The InChIKey is HQNMJZAZGDMCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3Si/c1-16-6-5-14-13(15(16)19)9-12(10-18)17(14)11-20-7-8-21(2,3)4/h5-6,9-10H,7-8,11H2,1-4H3.
What are the key properties of 5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridine-2-carbaldehyde?
5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridine-2-carbaldehyde has a molecular weight of 306.44 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridine-2-carbaldehyde is sourced from PubChem (CID 174175818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).