5-[2-ethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one

C18H15F3N4O — CID 134457996

IUPAC5-[2-ethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one
SMILESCCc1nc2ccc(C(F)(F)F)c(-c3cc(C)c4c(c3)CC(=O)N4)n2n1
InChIInChI=1S/C18H15F3N4O/c1-3-13-22-14-5-4-12(18(19,20)21)17(25(14)24-13)11-6-9(2)16-10(7-11)8-15(26)23-16/h4-7H,3,8H2,1-2H3,(H,23,26)
InChIKeyNASLIHDMRMORTE-UHFFFAOYSA-N
MW360.34 g/mol
LogP3.78
Rot. Bonds2

About 5-[2-ethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one

5-[2-ethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one (PubChem CID 134457996) has the molecular formula C18H15F3N4O and a molecular weight of 360.34 g/mol. Its IUPAC name is 5-[2-ethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-ethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one
PubChem CID134457996
Molecular FormulaC18H15F3N4O
Molecular Weight360.34 g/mol
Exact Mass360.12
IUPAC Name5-[2-ethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one
SMILESCCc1nc2ccc(C(F)(F)F)c(-c3cc(C)c4c(c3)CC(=O)N4)n2n1
InChIInChI=1S/C18H15F3N4O/c1-3-13-22-14-5-4-12(18(19,20)21)17(25(14)24-13)11-6-9(2)16-10(7-11)8-15(26)23-16/h4-7H,3,8H2,1-2H3,(H,23,26)
InChIKeyNASLIHDMRMORTE-UHFFFAOYSA-N
XLogP3.78
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-ethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-ethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one (CID 134457996) is 5-[2-ethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-ethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-ethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one is CCc1nc2ccc(C(F)(F)F)c(-c3cc(C)c4c(c3)CC(=O)N4)n2n1.
What is the InChIKey of 5-[2-ethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one?
The InChIKey is NASLIHDMRMORTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O/c1-3-13-22-14-5-4-12(18(19,20)21)17(25(14)24-13)11-6-9(2)16-10(7-11)8-15(26)23-16/h4-7H,3,8H2,1-2H3,(H,23,26).
What are the key properties of 5-[2-ethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one?
5-[2-ethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one has a molecular weight of 360.34 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-ethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 134457996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).