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

C19H14F6N4O — CID 134457779

IUPAC7-ethyl-5-[8-methyl-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one
SMILESCCc1cc(-c2c(C(F)(F)F)cc(C)c3nc(C(F)(F)F)nn23)cc2c1NC(=O)C2
InChIInChI=1S/C19H14F6N4O/c1-3-9-5-11(6-10-7-13(30)26-14(9)10)15-12(18(20,21)22)4-8(2)16-27-17(19(23,24)25)28-29(15)16/h4-6H,3,7H2,1-2H3,(H,26,30)
InChIKeyHPZUFMZYEJZXNY-UHFFFAOYSA-N
MW428.34 g/mol
LogP4.80
Rot. Bonds2

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

7-ethyl-5-[8-methyl-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one (PubChem CID 134457779) has the molecular formula C19H14F6N4O and a molecular weight of 428.34 g/mol. Its IUPAC name is 7-ethyl-5-[8-methyl-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-ethyl-5-[8-methyl-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one
PubChem CID134457779
Molecular FormulaC19H14F6N4O
Molecular Weight428.34 g/mol
Exact Mass428.11
IUPAC Name7-ethyl-5-[8-methyl-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one
SMILESCCc1cc(-c2c(C(F)(F)F)cc(C)c3nc(C(F)(F)F)nn23)cc2c1NC(=O)C2
InChIInChI=1S/C19H14F6N4O/c1-3-9-5-11(6-10-7-13(30)26-14(9)10)15-12(18(20,21)22)4-8(2)16-27-17(19(23,24)25)28-29(15)16/h4-6H,3,7H2,1-2H3,(H,26,30)
InChIKeyHPZUFMZYEJZXNY-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

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

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Related Compounds

N-[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 42600633
3-{1-[(2,5-difluorophenyl)acetyl]-2,3-dihydro-1H-indol-5-yl}-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 53466725
1-[5-(4-Amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 53467390
US11312712, Example 421
CID 122654369
US11312712, Example 336
CID 122654514
US11312712, Example 331
CID 122654800
US10155769, Example 11
CID 134450110
US10155769, Example 26
CID 134450124
7-Chloro-5-(6-(difluoromethyl)-2-(trifluoromethyl)-
CID 134452527
US10087185, Example 19
CID 134452528
US10087185, Example 57
CID 134452563
7-Chloro-5-(6-(difluoromethyl)-8-methyl-2-(trifluoromethyl)-
CID 134452614

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5-[8-methyl-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 7-ethyl-5-[8-methyl-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one (CID 134457779) is 7-ethyl-5-[8-methyl-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-ethyl-5-[8-methyl-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 7-ethyl-5-[8-methyl-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one is CCc1cc(-c2c(C(F)(F)F)cc(C)c3nc(C(F)(F)F)nn23)cc2c1NC(=O)C2.
What is the InChIKey of 7-ethyl-5-[8-methyl-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one?
The InChIKey is HPZUFMZYEJZXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F6N4O/c1-3-9-5-11(6-10-7-13(30)26-14(9)10)15-12(18(20,21)22)4-8(2)16-27-17(19(23,24)25)28-29(15)16/h4-6H,3,7H2,1-2H3,(H,26,30).
What are the key properties of 7-ethyl-5-[8-methyl-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one?
7-ethyl-5-[8-methyl-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-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 7-ethyl-5-[8-methyl-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 134457779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).