2-[[5-chloro-3-(2-fluoro-4-pyridinyl)pyrazolo[3,4-c]pyridin-2-yl]methoxy]ethyl-trimethylsilane

C17H20ClFN4OSi — CID 140800631

IUPAC2-[[5-chloro-3-(2-fluoro-4-pyridinyl)pyrazolo[3,4-c]pyridin-2-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc2cnc(Cl)cc2c1-c1ccnc(F)c1
InChIInChI=1S/C17H20ClFN4OSi/c1-25(2,3)7-6-24-11-23-17(12-4-5-20-16(19)8-12)13-9-15(18)21-10-14(13)22-23/h4-5,8-10H,6-7,11H2,1-3H3
InChIKeyJFXWYCVJIYDTII-UHFFFAOYSA-N
MW378.91 g/mol
LogP4.60
Rot. Bonds6

About 2-[[5-chloro-3-(2-fluoro-4-pyridinyl)pyrazolo[3,4-c]pyridin-2-yl]methoxy]ethyl-trimethylsilane

2-[[5-chloro-3-(2-fluoro-4-pyridinyl)pyrazolo[3,4-c]pyridin-2-yl]methoxy]ethyl-trimethylsilane (PubChem CID 140800631) has the molecular formula C17H20ClFN4OSi and a molecular weight of 378.91 g/mol. Its IUPAC name is 2-[[5-chloro-3-(2-fluoro-4-pyridinyl)pyrazolo[3,4-c]pyridin-2-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-chloro-3-(2-fluoro-4-pyridinyl)pyrazolo[3,4-c]pyridin-2-yl]methoxy]ethyl-trimethylsilane
PubChem CID140800631
Molecular FormulaC17H20ClFN4OSi
Molecular Weight378.91 g/mol
Exact Mass378.11
IUPAC Name2-[[5-chloro-3-(2-fluoro-4-pyridinyl)pyrazolo[3,4-c]pyridin-2-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc2cnc(Cl)cc2c1-c1ccnc(F)c1
InChIInChI=1S/C17H20ClFN4OSi/c1-25(2,3)7-6-24-11-23-17(12-4-5-20-16(19)8-12)13-9-15(18)21-10-14(13)22-23/h4-5,8-10H,6-7,11H2,1-3H3
InChIKeyJFXWYCVJIYDTII-UHFFFAOYSA-N
XLogP4.60
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.91
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2-[7-[[2-(5-Chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide
CID 54670034
2-[7-[[2-(5-Chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide
CID 54670129
2-[7-[[2-(5-Chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetamide
CID 54670130
3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-7-trimethylsilanyl-pyrazolo[1,5-a]pyridine
CID 44372338
US10377753, Example 240
CID 124176088
3-Chloro-6-(4-fluoro-3-methyl-phenyl)-1-(pyridazin-3-
CID 124176466
1-[(5-Chloropyridin-3-yl)methyl]-6-[3-(difluoromethyl)phenyl]pyrazolo[4,3-b]pyridine
CID 155388948
1-[(5-Chloropyridin-3-yl)methyl]-6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,3-b]pyridine
CID 155389122
6-(4-Chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
CID 155389263
1-[(5-Chloropyridin-3-yl)methyl]-6-[3-(1,1-difluoroethyl)-4-fluorophenyl]pyrazolo[4,3-b]pyridine
CID 155399921
1-[(5-Chloropyridin-3-yl)methyl]-6-[3-(difluoromethyl)-2-fluorophenyl]pyrazolo[4,3-b]pyridine
CID 155399931
6-(3-Chloro-4-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
CID 155400004

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-3-(2-fluoro-4-pyridinyl)pyrazolo[3,4-c]pyridin-2-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-chloro-3-(2-fluoro-4-pyridinyl)pyrazolo[3,4-c]pyridin-2-yl]methoxy]ethyl-trimethylsilane (CID 140800631) is 2-[[5-chloro-3-(2-fluoro-4-pyridinyl)pyrazolo[3,4-c]pyridin-2-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-chloro-3-(2-fluoro-4-pyridinyl)pyrazolo[3,4-c]pyridin-2-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-chloro-3-(2-fluoro-4-pyridinyl)pyrazolo[3,4-c]pyridin-2-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1nc2cnc(Cl)cc2c1-c1ccnc(F)c1.
What is the InChIKey of 2-[[5-chloro-3-(2-fluoro-4-pyridinyl)pyrazolo[3,4-c]pyridin-2-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is JFXWYCVJIYDTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN4OSi/c1-25(2,3)7-6-24-11-23-17(12-4-5-20-16(19)8-12)13-9-15(18)21-10-14(13)22-23/h4-5,8-10H,6-7,11H2,1-3H3.
What are the key properties of 2-[[5-chloro-3-(2-fluoro-4-pyridinyl)pyrazolo[3,4-c]pyridin-2-yl]methoxy]ethyl-trimethylsilane?
2-[[5-chloro-3-(2-fluoro-4-pyridinyl)pyrazolo[3,4-c]pyridin-2-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 378.91 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-3-(2-fluoro-4-pyridinyl)pyrazolo[3,4-c]pyridin-2-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 140800631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).