N-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]bicyclo[1.1.1]pentan-1-amine

C18H28N4OSi — CID 171424145

IUPACN-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]bicyclo[1.1.1]pentan-1-amine
SMILESCNC12CC(c3cnc4c(cnn4COCC[Si](C)(C)C)c3)(C1)C2
InChIInChI=1S/C18H28N4OSi/c1-19-18-10-17(11-18,12-18)15-7-14-8-21-22(16(14)20-9-15)13-23-5-6-24(2,3)4/h7-9,19H,5-6,10-13H2,1-4H3
InChIKeyWIRKTUJAJZZDOE-UHFFFAOYSA-N
MW344.54 g/mol
LogP3.14
Rot. Bonds7

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

N-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]bicyclo[1.1.1]pentan-1-amine (PubChem CID 171424145) has the molecular formula C18H28N4OSi and a molecular weight of 344.54 g/mol. Its IUPAC name is N-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]bicyclo[1.1.1]pentan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]bicyclo[1.1.1]pentan-1-amine
PubChem CID171424145
Molecular FormulaC18H28N4OSi
Molecular Weight344.54 g/mol
Exact Mass344.20
IUPAC NameN-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]bicyclo[1.1.1]pentan-1-amine
SMILESCNC12CC(c3cnc4c(cnn4COCC[Si](C)(C)C)c3)(C1)C2
InChIInChI=1S/C18H28N4OSi/c1-19-18-10-17(11-18,12-18)15-7-14-8-21-22(16(14)20-9-15)13-23-5-6-24(2,3)4/h7-9,19H,5-6,10-13H2,1-4H3
InChIKeyWIRKTUJAJZZDOE-UHFFFAOYSA-N
XLogP3.14
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.54
LogP ≤ 53.14
H-Bond Donors ≤ 51
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 3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]bicyclo[1.1.1]pentane-1-carboxylate
CID 171424082
[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine
CID 171465915
2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane
CID 140879638
N-methyl-1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridin-7-yl]methanamine
CID 169013201
2-[(5-bromo-7-methylindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 58181208
6-fluoro-N-methyl-1-(2-trimethylsilylethoxymethyl)indazol-7-amine
CID 175233264
2-[(5,6-dimethoxyindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 71009206
2-[(5-bromo-3-cyclopropylpyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 71562636
2-[(5-chloropyrazolo[4,3-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane
CID 140850911
2-[(4,5-dimethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156784527
tert-butyl N-[3,3-dimethyl-1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]piperidin-4-yl]-N-methylcarbamate
CID 171424116
(1R)-1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridin-7-yl]ethanamine
CID 178027402

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]bicyclo[1.1.1]pentan-1-amine?
The IUPAC name of N-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]bicyclo[1.1.1]pentan-1-amine (CID 171424145) is N-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]bicyclo[1.1.1]pentan-1-amine.
What is the SMILES notation for N-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]bicyclo[1.1.1]pentan-1-amine?
The canonical SMILES for N-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]bicyclo[1.1.1]pentan-1-amine is CNC12CC(c3cnc4c(cnn4COCC[Si](C)(C)C)c3)(C1)C2.
What is the InChIKey of N-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]bicyclo[1.1.1]pentan-1-amine?
The InChIKey is WIRKTUJAJZZDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4OSi/c1-19-18-10-17(11-18,12-18)15-7-14-8-21-22(16(14)20-9-15)13-23-5-6-24(2,3)4/h7-9,19H,5-6,10-13H2,1-4H3.
What are the key properties of N-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]bicyclo[1.1.1]pentan-1-amine?
N-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]bicyclo[1.1.1]pentan-1-amine has a molecular weight of 344.54 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]bicyclo[1.1.1]pentan-1-amine is sourced from PubChem (CID 171424145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).