4-bromo-N,2,6-trimethyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-3-carboxamide

C17H26BrN3O3Si — CID 140834480

IUPAC4-bromo-N,2,6-trimethyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-3-carboxamide
SMILESCNC(=O)c1c(C)n(COCC[Si](C)(C)C)c2c(=O)n(C)cc(Br)c12
InChIInChI=1S/C17H26BrN3O3Si/c1-11-13(16(22)19-2)14-12(18)9-20(3)17(23)15(14)21(11)10-24-7-8-25(4,5)6/h9H,7-8,10H2,1-6H3,(H,19,22)
InChIKeyCQPKOEKAEHUOSR-UHFFFAOYSA-N
MW428.40 g/mol
LogP3.08
Rot. Bonds6

About 4-bromo-N,2,6-trimethyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-3-carboxamide

4-bromo-N,2,6-trimethyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-3-carboxamide (PubChem CID 140834480) has the molecular formula C17H26BrN3O3Si and a molecular weight of 428.40 g/mol. Its IUPAC name is 4-bromo-N,2,6-trimethyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N,2,6-trimethyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-3-carboxamide
PubChem CID140834480
Molecular FormulaC17H26BrN3O3Si
Molecular Weight428.40 g/mol
Exact Mass427.09
IUPAC Name4-bromo-N,2,6-trimethyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-3-carboxamide
SMILESCNC(=O)c1c(C)n(COCC[Si](C)(C)C)c2c(=O)n(C)cc(Br)c12
InChIInChI=1S/C17H26BrN3O3Si/c1-11-13(16(22)19-2)14-12(18)9-20(3)17(23)15(14)21(11)10-24-7-8-25(4,5)6/h9H,7-8,10H2,1-6H3,(H,19,22)
InChIKeyCQPKOEKAEHUOSR-UHFFFAOYSA-N
XLogP3.08
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.40
LogP ≤ 53.08
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

ethyl 4-bromo-2,6-dimethyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-3-carboxylate
CID 140834477
(1-cyano-2-methylpropan-2-yl) 4-bromo-2,6-dimethyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-3-carboxylate
CID 140834478
4-bromo-5-(1-cyano-2-methylpropan-2-yl)-2,6-dimethyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-3-carboxylic acid
CID 151475971
methyl 5-bromo-2-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
CID 153484145
4-bromo-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
CID 166524443
6-bromo-1,5-dimethyl-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione
CID 123772393
ethyl 3-bromo-4-(2-trimethylsilylethoxymethyl)furo[3,2-b]pyrrole-5-carboxylate
CID 178180599
ethyl 2-[3-bromo-4-oxo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyridazin-1-yl]acetate
CID 165392709
4-bromo-3-methyl-1-(2-trimethylsilylethoxymethyl)indole-7-carboxamide
CID 131747440
ethyl 4,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxylate
CID 59180122
methyl 3-(4-bromophenyl)-5-methyl-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate
CID 71267034
5-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
CID 131747900

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,2,6-trimethyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 4-bromo-N,2,6-trimethyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-3-carboxamide (CID 140834480) is 4-bromo-N,2,6-trimethyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 4-bromo-N,2,6-trimethyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 4-bromo-N,2,6-trimethyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-3-carboxamide is CNC(=O)c1c(C)n(COCC[Si](C)(C)C)c2c(=O)n(C)cc(Br)c12.
What is the InChIKey of 4-bromo-N,2,6-trimethyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-3-carboxamide?
The InChIKey is CQPKOEKAEHUOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN3O3Si/c1-11-13(16(22)19-2)14-12(18)9-20(3)17(23)15(14)21(11)10-24-7-8-25(4,5)6/h9H,7-8,10H2,1-6H3,(H,19,22).
What are the key properties of 4-bromo-N,2,6-trimethyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-3-carboxamide?
4-bromo-N,2,6-trimethyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-3-carboxamide has a molecular weight of 428.40 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,2,6-trimethyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 140834480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).