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

C20H17F3N4O — CID 134457817

IUPAC5-[2-cyclopropyl-8-methyl-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)cc(C)c3nc(C4CC4)nn23)cc2c1NC(=O)C2
InChIInChI=1S/C20H17F3N4O/c1-9-5-13(7-12-8-15(28)24-16(9)12)17-14(20(21,22)23)6-10(2)19-25-18(11-3-4-11)26-27(17)19/h5-7,11H,3-4,8H2,1-2H3,(H,24,28)
InChIKeyYQWBBBIRZAMVSZ-UHFFFAOYSA-N
MW386.38 g/mol
LogP4.40
Rot. Bonds2

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

5-[2-cyclopropyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one (PubChem CID 134457817) has the molecular formula C20H17F3N4O and a molecular weight of 386.38 g/mol. Its IUPAC name is 5-[2-cyclopropyl-8-methyl-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-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one
PubChem CID134457817
Molecular FormulaC20H17F3N4O
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC Name5-[2-cyclopropyl-8-methyl-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)cc(C)c3nc(C4CC4)nn23)cc2c1NC(=O)C2
InChIInChI=1S/C20H17F3N4O/c1-9-5-13(7-12-8-15(28)24-16(9)12)17-14(20(21,22)23)6-10(2)19-25-18(11-3-4-11)26-27(17)19/h5-7,11H,3-4,8H2,1-2H3,(H,24,28)
InChIKeyYQWBBBIRZAMVSZ-UHFFFAOYSA-N
XLogP4.40
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 54.40
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-methyl-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-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one (CID 134457817) is 5-[2-cyclopropyl-8-methyl-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-methyl-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-methyl-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)cc(C)c3nc(C4CC4)nn23)cc2c1NC(=O)C2.
What is the InChIKey of 5-[2-cyclopropyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one?
The InChIKey is YQWBBBIRZAMVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O/c1-9-5-13(7-12-8-15(28)24-16(9)12)17-14(20(21,22)23)6-10(2)19-25-18(11-3-4-11)26-27(17)19/h5-7,11H,3-4,8H2,1-2H3,(H,24,28).
What are the key properties of 5-[2-cyclopropyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one?
5-[2-cyclopropyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one has a molecular weight of 386.38 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-cyclopropyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 134457817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).