5-chloro-7-ethenyl-N-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-b]pyridin-3-amine

C17H25ClN4O2Si — CID 169206580

IUPAC5-chloro-7-ethenyl-N-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-b]pyridin-3-amine
SMILESC=Cc1cc(Cl)nc2c(NC3COC3)nn(COCC[Si](C)(C)C)c12
InChIInChI=1S/C17H25ClN4O2Si/c1-5-12-8-14(18)20-15-16(12)22(11-23-6-7-25(2,3)4)21-17(15)19-13-9-24-10-13/h5,8,13H,1,6-7,9-11H2,2-4H3,(H,19,21)
InChIKeyBBJLLYGVXJTSKF-UHFFFAOYSA-N
MW380.95 g/mol
LogP3.85
Rot. Bonds8

About 5-chloro-7-ethenyl-N-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-b]pyridin-3-amine

5-chloro-7-ethenyl-N-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-b]pyridin-3-amine (PubChem CID 169206580) has the molecular formula C17H25ClN4O2Si and a molecular weight of 380.95 g/mol. Its IUPAC name is 5-chloro-7-ethenyl-N-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-b]pyridin-3-amine.

Molecular Properties

Compound Name5-chloro-7-ethenyl-N-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-b]pyridin-3-amine
PubChem CID169206580
Molecular FormulaC17H25ClN4O2Si
Molecular Weight380.95 g/mol
Exact Mass380.14
IUPAC Name5-chloro-7-ethenyl-N-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-b]pyridin-3-amine
SMILESC=Cc1cc(Cl)nc2c(NC3COC3)nn(COCC[Si](C)(C)C)c12
InChIInChI=1S/C17H25ClN4O2Si/c1-5-12-8-14(18)20-15-16(12)22(11-23-6-7-25(2,3)4)21-17(15)19-13-9-24-10-13/h5,8,13H,1,6-7,9-11H2,2-4H3,(H,19,21)
InChIKeyBBJLLYGVXJTSKF-UHFFFAOYSA-N
XLogP3.85
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.95
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(oxetan-3-yl)-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
CID 154698271
7-bromo-5-chloro-2-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-b]pyridin-3-amine
CID 169206863
5-(2,6-difluorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]isoquinolin-3-amine
CID 66773372
(2S,5R)-5-[[6-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-2-methylpiperidine-1-carboxylic acid
CID 175047121
2-[(6-chloro-3-iodo-4-methoxypyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 151001898
6-chloro-N-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
CID 154698326
1-[4-[[3-[[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-5-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-d]pyrimidin-7-yl]amino]piperidin-1-yl]ethanone
CID 162518256
2-[[5-bromo-3-iodo-7-(prop-2-enoxymethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 153306690
2-[[5-cyclopropyl-3-(2,5-dichloropyrimidin-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 171627565
2-[(6-chloro-5-methylindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 176896044
6-chloro-4-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one
CID 158798521
2-[(6-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 163251887

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-ethenyl-N-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-b]pyridin-3-amine?
The IUPAC name of 5-chloro-7-ethenyl-N-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-b]pyridin-3-amine (CID 169206580) is 5-chloro-7-ethenyl-N-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-b]pyridin-3-amine.
What is the SMILES notation for 5-chloro-7-ethenyl-N-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-b]pyridin-3-amine?
The canonical SMILES for 5-chloro-7-ethenyl-N-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-b]pyridin-3-amine is C=Cc1cc(Cl)nc2c(NC3COC3)nn(COCC[Si](C)(C)C)c12.
What is the InChIKey of 5-chloro-7-ethenyl-N-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-b]pyridin-3-amine?
The InChIKey is BBJLLYGVXJTSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4O2Si/c1-5-12-8-14(18)20-15-16(12)22(11-23-6-7-25(2,3)4)21-17(15)19-13-9-24-10-13/h5,8,13H,1,6-7,9-11H2,2-4H3,(H,19,21).
What are the key properties of 5-chloro-7-ethenyl-N-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-b]pyridin-3-amine?
5-chloro-7-ethenyl-N-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-b]pyridin-3-amine has a molecular weight of 380.95 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-ethenyl-N-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-b]pyridin-3-amine is sourced from PubChem (CID 169206580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).