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

C14H20BrN3O2Si — CID 171465871

IUPAC2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-3-yl]acetaldehyde
SMILESC[Si](C)(C)CCOCn1nc(CC=O)c2cc(Br)cnc21
InChIInChI=1S/C14H20BrN3O2Si/c1-21(2,3)7-6-20-10-18-14-12(8-11(15)9-16-14)13(17-18)4-5-19/h5,8-9H,4,6-7,10H2,1-3H3
InChIKeyKZBAEIJAJDLXNP-UHFFFAOYSA-N
MW370.32 g/mol
LogP3.25
Rot. Bonds7

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

2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-3-yl]acetaldehyde (PubChem CID 171465871) has the molecular formula C14H20BrN3O2Si and a molecular weight of 370.32 g/mol. Its IUPAC name is 2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-3-yl]acetaldehyde.

Molecular Properties

Compound Name2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-3-yl]acetaldehyde
PubChem CID171465871
Molecular FormulaC14H20BrN3O2Si
Molecular Weight370.32 g/mol
Exact Mass369.05
IUPAC Name2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-3-yl]acetaldehyde
SMILESC[Si](C)(C)CCOCn1nc(CC=O)c2cc(Br)cnc21
InChIInChI=1S/C14H20BrN3O2Si/c1-21(2,3)7-6-20-10-18-14-12(8-11(15)9-16-14)13(17-18)4-5-19/h5,8-9H,4,6-7,10H2,1-3H3
InChIKeyKZBAEIJAJDLXNP-UHFFFAOYSA-N
XLogP3.25
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 53.25
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'}

Analyze 2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-3-yl]acetaldehyde 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-[(5-bromo-3-ethenylpyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 171465843
2-[(5-bromo-3-cyclopropylpyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 71562636
2-[(5-bromo-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 59297026
7-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-4-methyl-2,3-dihydrochromen-4-ol
CID 171761366
methyl 4-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-1-(4-methylphenyl)sulfonylpyrrole-2-carboxylate
CID 140878903
2-[(3,4-dibromopyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 168933803
5-hydroxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile
CID 171465845
1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]ethanone
CID 156716995
2-[[5-bromo-2-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 174083889
2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole-4-carboxylic acid
CID 175080684
1-(2-trimethylsilylethoxymethyl)pyrazole-3,5-dicarbaldehyde
CID 164719027
5-bromo-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one
CID 66779522

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-3-yl]acetaldehyde?
The IUPAC name of 2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-3-yl]acetaldehyde (CID 171465871) is 2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-3-yl]acetaldehyde.
What is the SMILES notation for 2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-3-yl]acetaldehyde?
The canonical SMILES for 2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-3-yl]acetaldehyde is C[Si](C)(C)CCOCn1nc(CC=O)c2cc(Br)cnc21.
What is the InChIKey of 2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-3-yl]acetaldehyde?
The InChIKey is KZBAEIJAJDLXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2Si/c1-21(2,3)7-6-20-10-18-14-12(8-11(15)9-16-14)13(17-18)4-5-19/h5,8-9H,4,6-7,10H2,1-3H3.
What are the key properties of 2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-3-yl]acetaldehyde?
2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-3-yl]acetaldehyde has a molecular weight of 370.32 g/mol, XLogP of 3.25, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-3-yl]acetaldehyde is sourced from PubChem (CID 171465871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).