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

C17H10ClF5N4O — CID 134452614

IUPAC7-chloro-5-[6-(difluoromethyl)-8-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one
SMILESCc1cc(C(F)F)c(-c2cc(Cl)c3c(c2)CC(=O)N3)n2nc(C(F)(F)F)nc12
InChIInChI=1S/C17H10ClF5N4O/c1-6-2-9(14(19)20)13(27-15(6)25-16(26-27)17(21,22)23)8-3-7-5-11(28)24-12(7)10(18)4-8/h2-4,14H,5H2,1H3,(H,24,28)
InChIKeyPWLURYCGJBBOFG-UHFFFAOYSA-N
MW416.74 g/mol
LogP4.81
Rot. Bonds2

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

7-chloro-5-[6-(difluoromethyl)-8-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one (PubChem CID 134452614) has the molecular formula C17H10ClF5N4O and a molecular weight of 416.74 g/mol. Its IUPAC name is 7-chloro-5-[6-(difluoromethyl)-8-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-chloro-5-[6-(difluoromethyl)-8-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one
PubChem CID134452614
Molecular FormulaC17H10ClF5N4O
Molecular Weight416.74 g/mol
Exact Mass416.05
IUPAC Name7-chloro-5-[6-(difluoromethyl)-8-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one
SMILESCc1cc(C(F)F)c(-c2cc(Cl)c3c(c2)CC(=O)N3)n2nc(C(F)(F)F)nc12
InChIInChI=1S/C17H10ClF5N4O/c1-6-2-9(14(19)20)13(27-15(6)25-16(26-27)17(21,22)23)8-3-7-5-11(28)24-12(7)10(18)4-8/h2-4,14H,5H2,1H3,(H,24,28)
InChIKeyPWLURYCGJBBOFG-UHFFFAOYSA-N
XLogP4.81
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.74
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-[6-(difluoromethyl)-8-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 7-chloro-5-[6-(difluoromethyl)-8-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one (CID 134452614) is 7-chloro-5-[6-(difluoromethyl)-8-methyl-2-(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-[6-(difluoromethyl)-8-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 7-chloro-5-[6-(difluoromethyl)-8-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one is Cc1cc(C(F)F)c(-c2cc(Cl)c3c(c2)CC(=O)N3)n2nc(C(F)(F)F)nc12.
What is the InChIKey of 7-chloro-5-[6-(difluoromethyl)-8-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one?
The InChIKey is PWLURYCGJBBOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF5N4O/c1-6-2-9(14(19)20)13(27-15(6)25-16(26-27)17(21,22)23)8-3-7-5-11(28)24-12(7)10(18)4-8/h2-4,14H,5H2,1H3,(H,24,28).
What are the key properties of 7-chloro-5-[6-(difluoromethyl)-8-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one?
7-chloro-5-[6-(difluoromethyl)-8-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one has a molecular weight of 416.74 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-[6-(difluoromethyl)-8-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 134452614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).