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

C17H11F5N4O — CID 134452528

IUPAC5-[6-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one
SMILESCc1cc(-c2c(C(F)F)ccc3nc(C(F)(F)F)nn23)cc2c1NC(=O)C2
InChIInChI=1S/C17H11F5N4O/c1-7-4-9(5-8-6-12(27)24-13(7)8)14-10(15(18)19)2-3-11-23-16(17(20,21)22)25-26(11)14/h2-5,15H,6H2,1H3,(H,24,27)
InChIKeyCMRQHEOZTVQVCZ-UHFFFAOYSA-N
MW382.29 g/mol
LogP4.16
Rot. Bonds2

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

5-[6-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one (PubChem CID 134452528) has the molecular formula C17H11F5N4O and a molecular weight of 382.29 g/mol. Its IUPAC name is 5-[6-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[6-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one
PubChem CID134452528
Molecular FormulaC17H11F5N4O
Molecular Weight382.29 g/mol
Exact Mass382.09
IUPAC Name5-[6-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one
SMILESCc1cc(-c2c(C(F)F)ccc3nc(C(F)(F)F)nn23)cc2c1NC(=O)C2
InChIInChI=1S/C17H11F5N4O/c1-7-4-9(5-8-6-12(27)24-13(7)8)14-10(15(18)19)2-3-11-23-16(17(20,21)22)25-26(11)14/h2-5,15H,6H2,1H3,(H,24,27)
InChIKeyCMRQHEOZTVQVCZ-UHFFFAOYSA-N
XLogP4.16
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.29
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-[6-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one (CID 134452528) is 5-[6-(difluoromethyl)-2-(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-[6-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[6-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one is Cc1cc(-c2c(C(F)F)ccc3nc(C(F)(F)F)nn23)cc2c1NC(=O)C2.
What is the InChIKey of 5-[6-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one?
The InChIKey is CMRQHEOZTVQVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F5N4O/c1-7-4-9(5-8-6-12(27)24-13(7)8)14-10(15(18)19)2-3-11-23-16(17(20,21)22)25-26(11)14/h2-5,15H,6H2,1H3,(H,24,27).
What are the key properties of 5-[6-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one?
5-[6-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one has a molecular weight of 382.29 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 134452528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).