6-chloro-4-ethoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile

C16H22ClN3O2Si — CID 142436040

IUPAC6-chloro-4-ethoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile
SMILESCCOc1cc(Cl)nc2c1c(C#N)cn2COCC[Si](C)(C)C
InChIInChI=1S/C16H22ClN3O2Si/c1-5-22-13-8-14(17)19-16-15(13)12(9-18)10-20(16)11-21-6-7-23(2,3)4/h8,10H,5-7,11H2,1-4H3
InChIKeyKCMRQLHOTCDPTO-UHFFFAOYSA-N
MW351.91 g/mol
LogP4.27
Rot. Bonds7

About 6-chloro-4-ethoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile

6-chloro-4-ethoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile (PubChem CID 142436040) has the molecular formula C16H22ClN3O2Si and a molecular weight of 351.91 g/mol. Its IUPAC name is 6-chloro-4-ethoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-4-ethoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile
PubChem CID142436040
Molecular FormulaC16H22ClN3O2Si
Molecular Weight351.91 g/mol
Exact Mass351.12
IUPAC Name6-chloro-4-ethoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile
SMILESCCOc1cc(Cl)nc2c1c(C#N)cn2COCC[Si](C)(C)C
InChIInChI=1S/C16H22ClN3O2Si/c1-5-22-13-8-14(17)19-16-15(13)12(9-18)10-20(16)11-21-6-7-23(2,3)4/h8,10H,5-7,11H2,1-4H3
InChIKeyKCMRQLHOTCDPTO-UHFFFAOYSA-N
XLogP4.27
TPSA60.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.91
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 6-chloro-4-ethoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-(cyclopropylamino)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 142416386
2-chloro-4-(oxan-4-yloxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 142416302
4-cyclopropyl-6-[(1,4-dimethylpyrazol-3-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile
CID 140943320
4-[6-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxybenzonitrile
CID 101395267
2-[(3-chloro-7-iodopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane
CID 155673212
4-ethoxy-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 10564387
4-(2-chloro-5-hydroxy-4-methoxyphenyl)-2-propan-2-ylsulfanyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile;4-[2-chloro-4-methoxy-5-(methoxymethoxy)phenyl]-2-propan-2-ylsulfanyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 157346444
4-iodo-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;4-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile
CID 161136857
2-[(2,4-dichloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 86679621
4-(3-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile;4-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile
CID 159682716
2-[(5-chloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane
CID 90176933
2-chloro-5-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 133061792

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-ethoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile?
The IUPAC name of 6-chloro-4-ethoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile (CID 142436040) is 6-chloro-4-ethoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 6-chloro-4-ethoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 6-chloro-4-ethoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile is CCOc1cc(Cl)nc2c1c(C#N)cn2COCC[Si](C)(C)C.
What is the InChIKey of 6-chloro-4-ethoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile?
The InChIKey is KCMRQLHOTCDPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2Si/c1-5-22-13-8-14(17)19-16-15(13)12(9-18)10-20(16)11-21-6-7-23(2,3)4/h8,10H,5-7,11H2,1-4H3.
What are the key properties of 6-chloro-4-ethoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile?
6-chloro-4-ethoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile has a molecular weight of 351.91 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-ethoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 142436040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).