1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]ethanone

C14H21N3O2Si — CID 156716995

IUPAC1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]ethanone
SMILESCC(=O)c1nn(COCC[Si](C)(C)C)c2ncccc12
InChIInChI=1S/C14H21N3O2Si/c1-11(18)13-12-6-5-7-15-14(12)17(16-13)10-19-8-9-20(2,3)4/h5-7H,8-10H2,1-4H3
InChIKeyRJHTXBWMQCNPKV-UHFFFAOYSA-N
MW291.43 g/mol
LogP2.95
Rot. Bonds6

About 1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]ethanone

1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]ethanone (PubChem CID 156716995) has the molecular formula C14H21N3O2Si and a molecular weight of 291.43 g/mol. Its IUPAC name is 1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]ethanone
PubChem CID156716995
Molecular FormulaC14H21N3O2Si
Molecular Weight291.43 g/mol
Exact Mass291.14
IUPAC Name1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]ethanone
SMILESCC(=O)c1nn(COCC[Si](C)(C)C)c2ncccc12
InChIInChI=1S/C14H21N3O2Si/c1-11(18)13-12-6-5-7-15-14(12)17(16-13)10-19-8-9-20(2,3)4/h5-7H,8-10H2,1-4H3
InChIKeyRJHTXBWMQCNPKV-UHFFFAOYSA-N
XLogP2.95
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 52.95
H-Bond Donors ≤ 50
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

methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate
CID 160822051
2-[(2-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 174596817
2-[(3,4-dibromopyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 168933803
4-oxo-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidine-3-carboxylic acid
CID 140776896
2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 171106231
5-hydroxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile
CID 171465845
5-iodo-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylic acid
CID 57495793
7-chloro-10-(2-trimethylsilylethoxymethyl)benzo[b][1,8]naphthyridin-5-one
CID 21135820
4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid
CID 140776895
2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-3-yl]acetaldehyde
CID 171465871
2-(3-carbamoylpyrazolo[5,4-b]pyridin-1-yl)acetic acid
CID 71009624
1-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde
CID 22486277

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]ethanone?
The IUPAC name of 1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]ethanone (CID 156716995) is 1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]ethanone.
What is the SMILES notation for 1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]ethanone?
The canonical SMILES for 1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]ethanone is CC(=O)c1nn(COCC[Si](C)(C)C)c2ncccc12.
What is the InChIKey of 1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]ethanone?
The InChIKey is RJHTXBWMQCNPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2Si/c1-11(18)13-12-6-5-7-15-14(12)17(16-13)10-19-8-9-20(2,3)4/h5-7H,8-10H2,1-4H3.
What are the key properties of 1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]ethanone?
1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]ethanone has a molecular weight of 291.43 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]ethanone is sourced from PubChem (CID 156716995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).