1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]propan-1-one

C16H23ClN2O2Si — CID 71258460

IUPAC1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]propan-1-one
SMILESCCC(=O)c1cnc2c(ccn2COCC[Si](C)(C)C)c1Cl
InChIInChI=1S/C16H23ClN2O2Si/c1-5-14(20)13-10-18-16-12(15(13)17)6-7-19(16)11-21-8-9-22(2,3)4/h6-7,10H,5,8-9,11H2,1-4H3
InChIKeyPWHCEKVQBXRDHQ-UHFFFAOYSA-N
MW338.91 g/mol
LogP4.59
Rot. Bonds7

About 1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]propan-1-one

1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]propan-1-one (PubChem CID 71258460) has the molecular formula C16H23ClN2O2Si and a molecular weight of 338.91 g/mol. Its IUPAC name is 1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]propan-1-one
PubChem CID71258460
Molecular FormulaC16H23ClN2O2Si
Molecular Weight338.91 g/mol
Exact Mass338.12
IUPAC Name1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]propan-1-one
SMILESCCC(=O)c1cnc2c(ccn2COCC[Si](C)(C)C)c1Cl
InChIInChI=1S/C16H23ClN2O2Si/c1-5-14(20)13-10-18-16-12(15(13)17)6-7-19(16)11-21-8-9-22(2,3)4/h6-7,10H,5,8-9,11H2,1-4H3
InChIKeyPWHCEKVQBXRDHQ-UHFFFAOYSA-N
XLogP4.59
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.91
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide
CID 71258387
4-chloro-N'-cyclooctyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbohydrazide
CID 59292010
4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde
CID 86676739
5-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxylic acid;ethyl 5-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxylate
CID 159006031
2-fluoro-N-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]benzamide
CID 139945913
(4,6-dichloro-5-fluoro-3-pyridinyl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone
CID 155711450
trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane
CID 59420154
7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 70983690
2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]-2,6-diazaspiro[3.4]octan-5-one
CID 156747126
ethyl 4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrazole-5-carboxylate
CID 141450606
4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrazole-5-carboxamide
CID 141450642
5-bromo-N-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
CID 162477897

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]propan-1-one?
The IUPAC name of 1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]propan-1-one (CID 71258460) is 1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]propan-1-one.
What is the SMILES notation for 1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]propan-1-one?
The canonical SMILES for 1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]propan-1-one is CCC(=O)c1cnc2c(ccn2COCC[Si](C)(C)C)c1Cl.
What is the InChIKey of 1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]propan-1-one?
The InChIKey is PWHCEKVQBXRDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2Si/c1-5-14(20)13-10-18-16-12(15(13)17)6-7-19(16)11-21-8-9-22(2,3)4/h6-7,10H,5,8-9,11H2,1-4H3.
What are the key properties of 1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]propan-1-one?
1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]propan-1-one has a molecular weight of 338.91 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]propan-1-one is sourced from PubChem (CID 71258460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).