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

C21H19F3N4O — CID 134457784

IUPAC5-[2-cyclopropyl-8-ethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one
SMILESCCc1cc(C(F)(F)F)c(-c2cc(C)c3c(c2)CC(=O)N3)n2nc(C3CC3)nc12
InChIInChI=1S/C21H19F3N4O/c1-3-11-8-15(21(22,23)24)18(28-20(11)26-19(27-28)12-4-5-12)14-6-10(2)17-13(7-14)9-16(29)25-17/h6-8,12H,3-5,9H2,1-2H3,(H,25,29)
InChIKeySESUMIKOAGFHBL-UHFFFAOYSA-N
MW400.40 g/mol
LogP4.66
Rot. Bonds3

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

5-[2-cyclopropyl-8-ethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one (PubChem CID 134457784) has the molecular formula C21H19F3N4O and a molecular weight of 400.40 g/mol. Its IUPAC name is 5-[2-cyclopropyl-8-ethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-cyclopropyl-8-ethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one
PubChem CID134457784
Molecular FormulaC21H19F3N4O
Molecular Weight400.40 g/mol
Exact Mass400.15
IUPAC Name5-[2-cyclopropyl-8-ethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one
SMILESCCc1cc(C(F)(F)F)c(-c2cc(C)c3c(c2)CC(=O)N3)n2nc(C3CC3)nc12
InChIInChI=1S/C21H19F3N4O/c1-3-11-8-15(21(22,23)24)18(28-20(11)26-19(27-28)12-4-5-12)14-6-10(2)17-13(7-14)9-16(29)25-17/h6-8,12H,3-5,9H2,1-2H3,(H,25,29)
InChIKeySESUMIKOAGFHBL-UHFFFAOYSA-N
XLogP4.66
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-cyclopropyl-8-ethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-cyclopropyl-8-ethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one (CID 134457784) is 5-[2-cyclopropyl-8-ethyl-6-(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-[2-cyclopropyl-8-ethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-cyclopropyl-8-ethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one is CCc1cc(C(F)(F)F)c(-c2cc(C)c3c(c2)CC(=O)N3)n2nc(C3CC3)nc12.
What is the InChIKey of 5-[2-cyclopropyl-8-ethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one?
The InChIKey is SESUMIKOAGFHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O/c1-3-11-8-15(21(22,23)24)18(28-20(11)26-19(27-28)12-4-5-12)14-6-10(2)17-13(7-14)9-16(29)25-17/h6-8,12H,3-5,9H2,1-2H3,(H,25,29).
What are the key properties of 5-[2-cyclopropyl-8-ethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one?
5-[2-cyclopropyl-8-ethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one has a molecular weight of 400.40 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-cyclopropyl-8-ethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 134457784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).