2-ethyl-8-methyl-6-(trifluoromethyl)-5-[7-(trifluoromethyl)-1H-indazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine

C18H13F6N5 — CID 134458119

IUPAC2-ethyl-8-methyl-6-(trifluoromethyl)-5-[7-(trifluoromethyl)-1H-indazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCc1nc2c(C)cc(C(F)(F)F)c(-c3cc(C(F)(F)F)c4[nH]ncc4c3)n2n1
InChIInChI=1S/C18H13F6N5/c1-3-13-26-16-8(2)4-12(18(22,23)24)15(29(16)28-13)9-5-10-7-25-27-14(10)11(6-9)17(19,20)21/h4-7H,3H2,1-2H3,(H,25,27)
InChIKeyNSWQZHKCNUCEIB-UHFFFAOYSA-N
MW413.33 g/mol
LogP5.18
Rot. Bonds2

About 2-ethyl-8-methyl-6-(trifluoromethyl)-5-[7-(trifluoromethyl)-1H-indazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine

2-ethyl-8-methyl-6-(trifluoromethyl)-5-[7-(trifluoromethyl)-1H-indazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 134458119) has the molecular formula C18H13F6N5 and a molecular weight of 413.33 g/mol. Its IUPAC name is 2-ethyl-8-methyl-6-(trifluoromethyl)-5-[7-(trifluoromethyl)-1H-indazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-ethyl-8-methyl-6-(trifluoromethyl)-5-[7-(trifluoromethyl)-1H-indazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID134458119
Molecular FormulaC18H13F6N5
Molecular Weight413.33 g/mol
Exact Mass413.11
IUPAC Name2-ethyl-8-methyl-6-(trifluoromethyl)-5-[7-(trifluoromethyl)-1H-indazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCc1nc2c(C)cc(C(F)(F)F)c(-c3cc(C(F)(F)F)c4[nH]ncc4c3)n2n1
InChIInChI=1S/C18H13F6N5/c1-3-13-26-16-8(2)4-12(18(22,23)24)15(29(16)28-13)9-5-10-7-25-27-14(10)11(6-9)17(19,20)21/h4-7H,3H2,1-2H3,(H,25,27)
InChIKeyNSWQZHKCNUCEIB-UHFFFAOYSA-N
XLogP5.18
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.33
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
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Ly-2584702
CID 25118925
Ag-24322
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Vebreltinib
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PF-04254644
CID 24871823
1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo(3,4-d)pyrimidin-4-amine
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N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline
CID 10040667
Pyrazole 79
CID 23647348
4-Ethyl-6-[5-(1h-Pyrazol-4-Yl)-1h-Pyrrolo[2,3-B]pyridin-3-Yl]pyrimidin-2-Amine
CID 25165773
6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline
CID 46174165
3-(1H-Indazol-5-yl)-N-propylimidazo(1,2-b)pyridazin-6-amine
CID 70679308
1-Tert-Butyl-3-[(1h-Indol-3-Yl)methyl]-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 129316173

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-methyl-6-(trifluoromethyl)-5-[7-(trifluoromethyl)-1H-indazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-ethyl-8-methyl-6-(trifluoromethyl)-5-[7-(trifluoromethyl)-1H-indazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 134458119) is 2-ethyl-8-methyl-6-(trifluoromethyl)-5-[7-(trifluoromethyl)-1H-indazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-ethyl-8-methyl-6-(trifluoromethyl)-5-[7-(trifluoromethyl)-1H-indazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-ethyl-8-methyl-6-(trifluoromethyl)-5-[7-(trifluoromethyl)-1H-indazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine is CCc1nc2c(C)cc(C(F)(F)F)c(-c3cc(C(F)(F)F)c4[nH]ncc4c3)n2n1.
What is the InChIKey of 2-ethyl-8-methyl-6-(trifluoromethyl)-5-[7-(trifluoromethyl)-1H-indazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is NSWQZHKCNUCEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F6N5/c1-3-13-26-16-8(2)4-12(18(22,23)24)15(29(16)28-13)9-5-10-7-25-27-14(10)11(6-9)17(19,20)21/h4-7H,3H2,1-2H3,(H,25,27).
What are the key properties of 2-ethyl-8-methyl-6-(trifluoromethyl)-5-[7-(trifluoromethyl)-1H-indazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine?
2-ethyl-8-methyl-6-(trifluoromethyl)-5-[7-(trifluoromethyl)-1H-indazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 413.33 g/mol, XLogP of 5.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-methyl-6-(trifluoromethyl)-5-[7-(trifluoromethyl)-1H-indazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 134458119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).