5-[2-ethyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-(trifluoromethyl)-1,3-dihydroindol-2-one

C19H14F6N4O — CID 134457806

IUPAC5-[2-ethyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-(trifluoromethyl)-1,3-dihydroindol-2-one
SMILESCCc1nc2c(C)cc(C(F)(F)F)c(-c3cc4c(c(C(F)(F)F)c3)NC(=O)C4)n2n1
InChIInChI=1S/C19H14F6N4O/c1-3-13-26-17-8(2)4-12(19(23,24)25)16(29(17)28-13)10-5-9-7-14(30)27-15(9)11(6-10)18(20,21)22/h4-6H,3,7H2,1-2H3,(H,27,30)
InChIKeyQPNUGPUSEWVNLY-UHFFFAOYSA-N
MW428.34 g/mol
LogP4.80
Rot. Bonds2

About 5-[2-ethyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-(trifluoromethyl)-1,3-dihydroindol-2-one

5-[2-ethyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-(trifluoromethyl)-1,3-dihydroindol-2-one (PubChem CID 134457806) has the molecular formula C19H14F6N4O and a molecular weight of 428.34 g/mol. Its IUPAC name is 5-[2-ethyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-(trifluoromethyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-ethyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-(trifluoromethyl)-1,3-dihydroindol-2-one
PubChem CID134457806
Molecular FormulaC19H14F6N4O
Molecular Weight428.34 g/mol
Exact Mass428.11
IUPAC Name5-[2-ethyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-(trifluoromethyl)-1,3-dihydroindol-2-one
SMILESCCc1nc2c(C)cc(C(F)(F)F)c(-c3cc4c(c(C(F)(F)F)c3)NC(=O)C4)n2n1
InChIInChI=1S/C19H14F6N4O/c1-3-13-26-17-8(2)4-12(19(23,24)25)16(29(17)28-13)10-5-9-7-14(30)27-15(9)11(6-10)18(20,21)22/h4-6H,3,7H2,1-2H3,(H,27,30)
InChIKeyQPNUGPUSEWVNLY-UHFFFAOYSA-N
XLogP4.80
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.34
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-ethyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-(trifluoromethyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-ethyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-(trifluoromethyl)-1,3-dihydroindol-2-one (CID 134457806) is 5-[2-ethyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-(trifluoromethyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-ethyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-(trifluoromethyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-ethyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-(trifluoromethyl)-1,3-dihydroindol-2-one is CCc1nc2c(C)cc(C(F)(F)F)c(-c3cc4c(c(C(F)(F)F)c3)NC(=O)C4)n2n1.
What is the InChIKey of 5-[2-ethyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-(trifluoromethyl)-1,3-dihydroindol-2-one?
The InChIKey is QPNUGPUSEWVNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F6N4O/c1-3-13-26-17-8(2)4-12(19(23,24)25)16(29(17)28-13)10-5-9-7-14(30)27-15(9)11(6-10)18(20,21)22/h4-6H,3,7H2,1-2H3,(H,27,30).
What are the key properties of 5-[2-ethyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-(trifluoromethyl)-1,3-dihydroindol-2-one?
5-[2-ethyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-(trifluoromethyl)-1,3-dihydroindol-2-one has a molecular weight of 428.34 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-ethyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-(trifluoromethyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 134457806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).