2-[[5-[7-chloro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-7-methylindazol-1-yl]methoxy]ethyl-trimethylsilane

C21H23ClF3N5OSi — CID 140866018

IUPAC2-[[5-[7-chloro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-7-methylindazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1cc(-c2c(Cl)ccn3nc(C(F)(F)F)nc23)cc2cnn(COCC[Si](C)(C)C)c12
InChIInChI=1S/C21H23ClF3N5OSi/c1-13-9-14(10-15-11-26-30(18(13)15)12-31-7-8-32(2,3)4)17-16(22)5-6-29-19(17)27-20(28-29)21(23,24)25/h5-6,9-11H,7-8,12H2,1-4H3
InChIKeyHPPXLRXHHGLCDJ-UHFFFAOYSA-N
MW481.98 g/mol
LogP6.04
Rot. Bonds6

About 2-[[5-[7-chloro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-7-methylindazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-[7-chloro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-7-methylindazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 140866018) has the molecular formula C21H23ClF3N5OSi and a molecular weight of 481.98 g/mol. Its IUPAC name is 2-[[5-[7-chloro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-7-methylindazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-[7-chloro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-7-methylindazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID140866018
Molecular FormulaC21H23ClF3N5OSi
Molecular Weight481.98 g/mol
Exact Mass481.13
IUPAC Name2-[[5-[7-chloro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-7-methylindazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1cc(-c2c(Cl)ccn3nc(C(F)(F)F)nc23)cc2cnn(COCC[Si](C)(C)C)c12
InChIInChI=1S/C21H23ClF3N5OSi/c1-13-9-14(10-15-11-26-30(18(13)15)12-31-7-8-32(2,3)4)17-16(22)5-6-29-19(17)27-20(28-29)21(23,24)25/h5-6,9-11H,7-8,12H2,1-4H3
InChIKeyHPPXLRXHHGLCDJ-UHFFFAOYSA-N
XLogP6.04
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.98
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

6-(Difluoro(6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo(4,3-b)pyridazin-3-yl)methyl)quinoline
CID 46911863
CpCDPK1/TgCDPK1-IN-3
CID 24905221
US10155769, Example 6
CID 134450107
US10155769, Example 23
CID 134450121
US10155769, Example 24
CID 134450122
US10155769, Example 28
CID 134450125
US10155769, Example 41
CID 134450138
US10155769, Example 49
CID 134450146
US10155769, Example 60
CID 134450155
US10087185, Example 44
CID 134452552
US10087185, Example 53
CID 134452559
US10155769, Example 19
CID 134452793

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[7-chloro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-7-methylindazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-[7-chloro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-7-methylindazol-1-yl]methoxy]ethyl-trimethylsilane (CID 140866018) is 2-[[5-[7-chloro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-7-methylindazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-[7-chloro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-7-methylindazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-[7-chloro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-7-methylindazol-1-yl]methoxy]ethyl-trimethylsilane is Cc1cc(-c2c(Cl)ccn3nc(C(F)(F)F)nc23)cc2cnn(COCC[Si](C)(C)C)c12.
What is the InChIKey of 2-[[5-[7-chloro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-7-methylindazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is HPPXLRXHHGLCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClF3N5OSi/c1-13-9-14(10-15-11-26-30(18(13)15)12-31-7-8-32(2,3)4)17-16(22)5-6-29-19(17)27-20(28-29)21(23,24)25/h5-6,9-11H,7-8,12H2,1-4H3.
What are the key properties of 2-[[5-[7-chloro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-7-methylindazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-[7-chloro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-7-methylindazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 481.98 g/mol, XLogP of 6.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[7-chloro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-7-methylindazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 140866018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).