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

C22H14F4N4O — CID 134452563

IUPAC5-[6-(4-fluorophenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one
SMILESCc1cc(-c2c(-c3ccc(F)cc3)ccc3nc(C(F)(F)F)nn23)cc2c1NC(=O)C2
InChIInChI=1S/C22H14F4N4O/c1-11-8-14(9-13-10-18(31)28-19(11)13)20-16(12-2-4-15(23)5-3-12)6-7-17-27-21(22(24,25)26)29-30(17)20/h2-9H,10H2,1H3,(H,28,31)
InChIKeyMARDRTGXZRXTIS-UHFFFAOYSA-N
MW426.37 g/mol
LogP5.02
Rot. Bonds2

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

5-[6-(4-fluorophenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one (PubChem CID 134452563) has the molecular formula C22H14F4N4O and a molecular weight of 426.37 g/mol. Its IUPAC name is 5-[6-(4-fluorophenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[6-(4-fluorophenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one
PubChem CID134452563
Molecular FormulaC22H14F4N4O
Molecular Weight426.37 g/mol
Exact Mass426.11
IUPAC Name5-[6-(4-fluorophenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one
SMILESCc1cc(-c2c(-c3ccc(F)cc3)ccc3nc(C(F)(F)F)nn23)cc2c1NC(=O)C2
InChIInChI=1S/C22H14F4N4O/c1-11-8-14(9-13-10-18(31)28-19(11)13)20-16(12-2-4-15(23)5-3-12)6-7-17-27-21(22(24,25)26)29-30(17)20/h2-9H,10H2,1H3,(H,28,31)
InChIKeyMARDRTGXZRXTIS-UHFFFAOYSA-N
XLogP5.02
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.37
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(4-fluorophenyl)-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-(4-fluorophenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one (CID 134452563) is 5-[6-(4-fluorophenyl)-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-(4-fluorophenyl)-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-(4-fluorophenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one is Cc1cc(-c2c(-c3ccc(F)cc3)ccc3nc(C(F)(F)F)nn23)cc2c1NC(=O)C2.
What is the InChIKey of 5-[6-(4-fluorophenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one?
The InChIKey is MARDRTGXZRXTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F4N4O/c1-11-8-14(9-13-10-18(31)28-19(11)13)20-16(12-2-4-15(23)5-3-12)6-7-17-27-21(22(24,25)26)29-30(17)20/h2-9H,10H2,1H3,(H,28,31).
What are the key properties of 5-[6-(4-fluorophenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one?
5-[6-(4-fluorophenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one has a molecular weight of 426.37 g/mol, XLogP of 5.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(4-fluorophenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 134452563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).