methyl 3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]bicyclo[1.1.1]pentane-1-carboxylate

C19H27N3O3Si — CID 171424082

IUPACmethyl 3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]bicyclo[1.1.1]pentane-1-carboxylate
SMILESCOC(=O)C12CC(c3cnc4c(cnn4COCC[Si](C)(C)C)c3)(C1)C2
InChIInChI=1S/C19H27N3O3Si/c1-24-17(23)19-10-18(11-19,12-19)15-7-14-8-21-22(16(14)20-9-15)13-25-5-6-26(2,3)4/h7-9H,5-6,10-13H2,1-4H3
InChIKeyLWSHBPFBIRHPMC-UHFFFAOYSA-N
MW373.53 g/mol
LogP3.34
Rot. Bonds7

About methyl 3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]bicyclo[1.1.1]pentane-1-carboxylate

methyl 3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]bicyclo[1.1.1]pentane-1-carboxylate (PubChem CID 171424082) has the molecular formula C19H27N3O3Si and a molecular weight of 373.53 g/mol. Its IUPAC name is methyl 3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]bicyclo[1.1.1]pentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]bicyclo[1.1.1]pentane-1-carboxylate
PubChem CID171424082
Molecular FormulaC19H27N3O3Si
Molecular Weight373.53 g/mol
Exact Mass373.18
IUPAC Namemethyl 3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]bicyclo[1.1.1]pentane-1-carboxylate
SMILESCOC(=O)C12CC(c3cnc4c(cnn4COCC[Si](C)(C)C)c3)(C1)C2
InChIInChI=1S/C19H27N3O3Si/c1-24-17(23)19-10-18(11-19,12-19)15-7-14-8-21-22(16(14)20-9-15)13-25-5-6-26(2,3)4/h7-9H,5-6,10-13H2,1-4H3
InChIKeyLWSHBPFBIRHPMC-UHFFFAOYSA-N
XLogP3.34
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.53
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

N-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]bicyclo[1.1.1]pentan-1-amine
CID 171424145
[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine
CID 171465915
methyl 1-(2-trimethylsilylethoxymethyl)indazole-7-carboxylate
CID 167405141
1-(2-trimethylsilylethoxymethyl)indazole-5-carboxylic acid
CID 156717889
2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane
CID 140879638
tert-butyl N-[3,3-dimethyl-1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]piperidin-4-yl]-N-methylcarbamate
CID 171424116
5-bromo-1-(2-trimethylsilylethoxymethyl)indazole-6-carboxylic acid
CID 153498713
2-[(5,6-dimethoxyindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 71009206
6-fluoro-N-methyl-1-(2-trimethylsilylethoxymethyl)indazol-7-amine
CID 175233264
methyl 5-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carboxylate
CID 170590267
2-[(7-bromopyrazolo[4,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 140869978
5-fluoro-7-(hydroxymethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-ol
CID 163233761

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]bicyclo[1.1.1]pentane-1-carboxylate?
The IUPAC name of methyl 3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]bicyclo[1.1.1]pentane-1-carboxylate (CID 171424082) is methyl 3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]bicyclo[1.1.1]pentane-1-carboxylate.
What is the SMILES notation for methyl 3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]bicyclo[1.1.1]pentane-1-carboxylate?
The canonical SMILES for methyl 3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]bicyclo[1.1.1]pentane-1-carboxylate is COC(=O)C12CC(c3cnc4c(cnn4COCC[Si](C)(C)C)c3)(C1)C2.
What is the InChIKey of methyl 3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]bicyclo[1.1.1]pentane-1-carboxylate?
The InChIKey is LWSHBPFBIRHPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3Si/c1-24-17(23)19-10-18(11-19,12-19)15-7-14-8-21-22(16(14)20-9-15)13-25-5-6-26(2,3)4/h7-9H,5-6,10-13H2,1-4H3.
What are the key properties of methyl 3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]bicyclo[1.1.1]pentane-1-carboxylate?
methyl 3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]bicyclo[1.1.1]pentane-1-carboxylate has a molecular weight of 373.53 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]bicyclo[1.1.1]pentane-1-carboxylate is sourced from PubChem (CID 171424082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).