2-[[4-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-4-yl]pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C21H25ClN6OSi — CID 162761018

IUPAC2-[[4-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-4-yl]pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCn1cc(-c2ccnc3c2cnn3COCC[Si](C)(C)C)c(-c2ccc(Cl)cn2)n1
InChIInChI=1S/C21H25ClN6OSi/c1-27-13-18(20(26-27)19-6-5-15(22)11-24-19)16-7-8-23-21-17(16)12-25-28(21)14-29-9-10-30(2,3)4/h5-8,11-13H,9-10,14H2,1-4H3
InChIKeyAQGLRTZNQBIDSQ-UHFFFAOYSA-N
MW441.01 g/mol
LogP4.86
Rot. Bonds7

About 2-[[4-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-4-yl]pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-4-yl]pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 162761018) has the molecular formula C21H25ClN6OSi and a molecular weight of 441.01 g/mol. Its IUPAC name is 2-[[4-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-4-yl]pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-4-yl]pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID162761018
Molecular FormulaC21H25ClN6OSi
Molecular Weight441.01 g/mol
Exact Mass440.15
IUPAC Name2-[[4-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-4-yl]pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCn1cc(-c2ccnc3c2cnn3COCC[Si](C)(C)C)c(-c2ccc(Cl)cn2)n1
InChIInChI=1S/C21H25ClN6OSi/c1-27-13-18(20(26-27)19-6-5-15(22)11-24-19)16-7-8-23-21-17(16)12-25-28(21)14-29-9-10-30(2,3)4/h5-8,11-13H,9-10,14H2,1-4H3
InChIKeyAQGLRTZNQBIDSQ-UHFFFAOYSA-N
XLogP4.86
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.01
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-[6-(5-chloro-2-fluorophenyl)-3-[2-(dimethylamino)ethoxy]pyridazin-4-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-4-amine
CID 171781472
2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane
CID 140879638
5-(2-amino-5-chlorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine
CID 171757792
2-[[4-[(2R,4R)-8-(5-fluoro-2-pyridinyl)-1,9-diazatricyclo[4.3.0.02,4]nona-6,8-dien-7-yl]-6-methylpyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 162760785
4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1-[2-(oxetan-3-yl)propyl]pyrrolo[2,3-b]pyridine
CID 175920695
4-[1-methyl-3-[5-(trifluoromethoxy)-2-pyridinyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 162760917
2-[[5-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 150079028
2-[[7-[2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazin-3-yl]pyrazolo[4,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 162760447
4-[3-[5-(difluoromethyl)-2-pyridinyl]-1-methylpyrazol-4-yl]-1H-pyrazolo[3,4-b]pyridine
CID 162760858
2-[(3,4-dibromopyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 168933803
2-[(4,5-dimethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156784527
2-[[5-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane
CID 140850912

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-4-yl]pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-4-yl]pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 162761018) is 2-[[4-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-4-yl]pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-4-yl]pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-4-yl]pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is Cn1cc(-c2ccnc3c2cnn3COCC[Si](C)(C)C)c(-c2ccc(Cl)cn2)n1.
What is the InChIKey of 2-[[4-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-4-yl]pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is AQGLRTZNQBIDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN6OSi/c1-27-13-18(20(26-27)19-6-5-15(22)11-24-19)16-7-8-23-21-17(16)12-25-28(21)14-29-9-10-30(2,3)4/h5-8,11-13H,9-10,14H2,1-4H3.
What are the key properties of 2-[[4-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-4-yl]pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-4-yl]pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 441.01 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-4-yl]pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 162761018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).