2-[[3-(2,5-dichloropyrimidin-4-yl)-5-fluoroindazol-1-yl]methoxy]ethyl-trimethylsilane

C17H19Cl2FN4OSi — CID 171839779

IUPAC2-[[3-(2,5-dichloropyrimidin-4-yl)-5-fluoroindazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(-c2nc(Cl)ncc2Cl)c2cc(F)ccc21
InChIInChI=1S/C17H19Cl2FN4OSi/c1-26(2,3)7-6-25-10-24-14-5-4-11(20)8-12(14)15(23-24)16-13(18)9-21-17(19)22-16/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyUZKXVYZLQKDRJS-UHFFFAOYSA-N
MW413.36 g/mol
LogP5.25
Rot. Bonds6

About 2-[[3-(2,5-dichloropyrimidin-4-yl)-5-fluoroindazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[3-(2,5-dichloropyrimidin-4-yl)-5-fluoroindazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 171839779) has the molecular formula C17H19Cl2FN4OSi and a molecular weight of 413.36 g/mol. Its IUPAC name is 2-[[3-(2,5-dichloropyrimidin-4-yl)-5-fluoroindazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[3-(2,5-dichloropyrimidin-4-yl)-5-fluoroindazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID171839779
Molecular FormulaC17H19Cl2FN4OSi
Molecular Weight413.36 g/mol
Exact Mass412.07
IUPAC Name2-[[3-(2,5-dichloropyrimidin-4-yl)-5-fluoroindazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(-c2nc(Cl)ncc2Cl)c2cc(F)ccc21
InChIInChI=1S/C17H19Cl2FN4OSi/c1-26(2,3)7-6-25-10-24-14-5-4-11(20)8-12(14)15(23-24)16-13(18)9-21-17(19)22-16/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyUZKXVYZLQKDRJS-UHFFFAOYSA-N
XLogP5.25
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.36
LogP ≤ 55.25
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

N-(4-chlorophenyl)-4-(1-methylindazol-3-yl)pyrimidin-2-amine
CID 70682820
N-(3-chlorophenyl)-4-(1-methylindazol-3-yl)pyrimidin-2-amine
CID 70687052
4-chloro-3-{[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]methyl}-1-methyl-1H-indazole
CID 50953118
3-(4,5-Dimethylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]indazole
CID 21334474
5-chloro-3-(6-fluoroquinolin-3-yl)-N,N-bis((2-(trimethylsilyl)ethoxy)methyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 86686735
4-[3-(2-chlorophenyl)-4-(1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-imidazol-2-yl)-1H-pyrazol-1-yl]-2-fluoro-5-methylpyridine
CID 86688652
4-chloro-2-[1-(2-fluorobenzyl)-1H-indazol-3-yl]pyrimidine-5-carbonitrile
CID 86732430
5-chloro-3-(6-fluoroquinolin-3-yl)-N-(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 87277336
N-(2-chloro-5-fluoropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine
CID 87861324
2-[[3-(6-Chloropyrimidin-4-yl)-6-fluoro-5-(1-methylpyrazol-4-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane
CID 90398391
3-(2-Chloro-5-fluoropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine
CID 90963759
1-(2,5-Dichloropyrimidin-4-yl)-3-fluoroindazole
CID 130205862

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2,5-dichloropyrimidin-4-yl)-5-fluoroindazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-(2,5-dichloropyrimidin-4-yl)-5-fluoroindazol-1-yl]methoxy]ethyl-trimethylsilane (CID 171839779) is 2-[[3-(2,5-dichloropyrimidin-4-yl)-5-fluoroindazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-(2,5-dichloropyrimidin-4-yl)-5-fluoroindazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-(2,5-dichloropyrimidin-4-yl)-5-fluoroindazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1nc(-c2nc(Cl)ncc2Cl)c2cc(F)ccc21.
What is the InChIKey of 2-[[3-(2,5-dichloropyrimidin-4-yl)-5-fluoroindazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is UZKXVYZLQKDRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2FN4OSi/c1-26(2,3)7-6-25-10-24-14-5-4-11(20)8-12(14)15(23-24)16-13(18)9-21-17(19)22-16/h4-5,8-9H,6-7,10H2,1-3H3.
What are the key properties of 2-[[3-(2,5-dichloropyrimidin-4-yl)-5-fluoroindazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[3-(2,5-dichloropyrimidin-4-yl)-5-fluoroindazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 413.36 g/mol, XLogP of 5.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2,5-dichloropyrimidin-4-yl)-5-fluoroindazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 171839779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).