2-[[6-fluoro-5-(1-methylpyrazol-4-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane

C17H23FN4OSi — CID 90398408

IUPAC2-[[6-fluoro-5-(1-methylpyrazol-4-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane
SMILESCn1cc(-c2cc3cn(COCC[Si](C)(C)C)nc3cc2F)cn1
InChIInChI=1S/C17H23FN4OSi/c1-21-10-14(9-19-21)15-7-13-11-22(20-17(13)8-16(15)18)12-23-5-6-24(2,3)4/h7-11H,5-6,12H2,1-4H3
InChIKeyNGRUWFVLOVRCQS-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.89
Rot. Bonds6

About 2-[[6-fluoro-5-(1-methylpyrazol-4-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane

2-[[6-fluoro-5-(1-methylpyrazol-4-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane (PubChem CID 90398408) has the molecular formula C17H23FN4OSi and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-[[6-fluoro-5-(1-methylpyrazol-4-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[6-fluoro-5-(1-methylpyrazol-4-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane
PubChem CID90398408
Molecular FormulaC17H23FN4OSi
Molecular Weight346.48 g/mol
Exact Mass346.16
IUPAC Name2-[[6-fluoro-5-(1-methylpyrazol-4-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane
SMILESCn1cc(-c2cc3cn(COCC[Si](C)(C)C)nc3cc2F)cn1
InChIInChI=1S/C17H23FN4OSi/c1-21-10-14(9-19-21)15-7-13-11-22(20-17(13)8-16(15)18)12-23-5-6-24(2,3)4/h7-11H,5-6,12H2,1-4H3
InChIKeyNGRUWFVLOVRCQS-UHFFFAOYSA-N
XLogP3.89
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.89
H-Bond Donors ≤ 50
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

trimethyl-[2-[(5-pyrazin-2-ylindazol-2-yl)methoxy]ethyl]silane
CID 90398670
2-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 140810657
2-[[5-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane
CID 140850912
2,3-difluoro-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]aniline
CID 171118395
trimethyl-[2-[[4-(2-methylquinolin-4-yl)pyrazol-1-yl]methoxy]ethyl]silane
CID 167445677
3-fluoro-4-[3-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]aniline
CID 177157501
trimethyl-[2-[(5-nitroindazol-2-yl)methoxy]ethyl]silane
CID 11637903
trimethyl-[2-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane
CID 140810693
4-fluoro-3-[[2-(1-methylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonyl]amino]benzoic acid
CID 170634931
3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-5-yl]benzaldehyde
CID 140850927
2-[[5-(4-ethenyl-2-fluoro-6-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 140850928
2-[5-bromo-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]indol-1-yl]ethanol
CID 145066841

Frequently Asked Questions

What is the IUPAC name of 2-[[6-fluoro-5-(1-methylpyrazol-4-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[6-fluoro-5-(1-methylpyrazol-4-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane (CID 90398408) is 2-[[6-fluoro-5-(1-methylpyrazol-4-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[6-fluoro-5-(1-methylpyrazol-4-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[6-fluoro-5-(1-methylpyrazol-4-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane is Cn1cc(-c2cc3cn(COCC[Si](C)(C)C)nc3cc2F)cn1.
What is the InChIKey of 2-[[6-fluoro-5-(1-methylpyrazol-4-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is NGRUWFVLOVRCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4OSi/c1-21-10-14(9-19-21)15-7-13-11-22(20-17(13)8-16(15)18)12-23-5-6-24(2,3)4/h7-11H,5-6,12H2,1-4H3.
What are the key properties of 2-[[6-fluoro-5-(1-methylpyrazol-4-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane?
2-[[6-fluoro-5-(1-methylpyrazol-4-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 346.48 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-fluoro-5-(1-methylpyrazol-4-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 90398408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).