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

C19H15F3N4O — CID 134457776

IUPAC5-[2-cyclopropyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one
SMILESCc1cc(-c2c(C(F)(F)F)ccc3nc(C4CC4)nn23)cc2c1NC(=O)C2
InChIInChI=1S/C19H15F3N4O/c1-9-6-12(7-11-8-15(27)24-16(9)11)17-13(19(20,21)22)4-5-14-23-18(10-2-3-10)25-26(14)17/h4-7,10H,2-3,8H2,1H3,(H,24,27)
InChIKeyWIKLFATZDOTONA-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.10
Rot. Bonds2

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

5-[2-cyclopropyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one (PubChem CID 134457776) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is 5-[2-cyclopropyl-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-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one
PubChem CID134457776
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC Name5-[2-cyclopropyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one
SMILESCc1cc(-c2c(C(F)(F)F)ccc3nc(C4CC4)nn23)cc2c1NC(=O)C2
InChIInChI=1S/C19H15F3N4O/c1-9-6-12(7-11-8-15(27)24-16(9)11)17-13(19(20,21)22)4-5-14-23-18(10-2-3-10)25-26(14)17/h4-7,10H,2-3,8H2,1H3,(H,24,27)
InChIKeyWIKLFATZDOTONA-UHFFFAOYSA-N
XLogP4.10
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-cyclopropyl-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-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one (CID 134457776) is 5-[2-cyclopropyl-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-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-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one is Cc1cc(-c2c(C(F)(F)F)ccc3nc(C4CC4)nn23)cc2c1NC(=O)C2.
What is the InChIKey of 5-[2-cyclopropyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one?
The InChIKey is WIKLFATZDOTONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c1-9-6-12(7-11-8-15(27)24-16(9)11)17-13(19(20,21)22)4-5-14-23-18(10-2-3-10)25-26(14)17/h4-7,10H,2-3,8H2,1H3,(H,24,27).
What are the key properties of 5-[2-cyclopropyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one?
5-[2-cyclopropyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one has a molecular weight of 372.35 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-cyclopropyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 134457776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).