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

C18H14ClF3N4O — CID 134457755

IUPAC7-chloro-5-[2-ethyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one
SMILESCCc1nc2c(C)cc(C(F)(F)F)c(-c3cc(Cl)c4c(c3)CC(=O)N4)n2n1
InChIInChI=1S/C18H14ClF3N4O/c1-3-13-23-17-8(2)4-11(18(20,21)22)16(26(17)25-13)10-5-9-7-14(27)24-15(9)12(19)6-10/h4-6H,3,7H2,1-2H3,(H,24,27)
InChIKeyFYYHCKASAJZWNE-UHFFFAOYSA-N
MW394.78 g/mol
LogP4.43
Rot. Bonds2

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

7-chloro-5-[2-ethyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one (PubChem CID 134457755) has the molecular formula C18H14ClF3N4O and a molecular weight of 394.78 g/mol. Its IUPAC name is 7-chloro-5-[2-ethyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-chloro-5-[2-ethyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one
PubChem CID134457755
Molecular FormulaC18H14ClF3N4O
Molecular Weight394.78 g/mol
Exact Mass394.08
IUPAC Name7-chloro-5-[2-ethyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one
SMILESCCc1nc2c(C)cc(C(F)(F)F)c(-c3cc(Cl)c4c(c3)CC(=O)N4)n2n1
InChIInChI=1S/C18H14ClF3N4O/c1-3-13-23-17-8(2)4-11(18(20,21)22)16(26(17)25-13)10-5-9-7-14(27)24-15(9)12(19)6-10/h4-6H,3,7H2,1-2H3,(H,24,27)
InChIKeyFYYHCKASAJZWNE-UHFFFAOYSA-N
XLogP4.43
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.78
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-[2-ethyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 7-chloro-5-[2-ethyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one (CID 134457755) is 7-chloro-5-[2-ethyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-chloro-5-[2-ethyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 7-chloro-5-[2-ethyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one is CCc1nc2c(C)cc(C(F)(F)F)c(-c3cc(Cl)c4c(c3)CC(=O)N4)n2n1.
What is the InChIKey of 7-chloro-5-[2-ethyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one?
The InChIKey is FYYHCKASAJZWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N4O/c1-3-13-23-17-8(2)4-11(18(20,21)22)16(26(17)25-13)10-5-9-7-14(27)24-15(9)12(19)6-10/h4-6H,3,7H2,1-2H3,(H,24,27).
What are the key properties of 7-chloro-5-[2-ethyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one?
7-chloro-5-[2-ethyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one has a molecular weight of 394.78 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-[2-ethyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 134457755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).