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

C17H13F3N4O — CID 134458106

IUPAC7-methyl-5-[2-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one
SMILESCc1nc2ccc(C(F)(F)F)c(-c3cc(C)c4c(c3)CC(=O)N4)n2n1
InChIInChI=1S/C17H13F3N4O/c1-8-5-11(6-10-7-14(25)22-15(8)10)16-12(17(18,19)20)3-4-13-21-9(2)23-24(13)16/h3-6H,7H2,1-2H3,(H,22,25)
InChIKeyUFCIGRPXLVYLLH-UHFFFAOYSA-N
MW346.31 g/mol
LogP3.53
Rot. Bonds1

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

7-methyl-5-[2-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one (PubChem CID 134458106) has the molecular formula C17H13F3N4O and a molecular weight of 346.31 g/mol. Its IUPAC name is 7-methyl-5-[2-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-methyl-5-[2-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one
PubChem CID134458106
Molecular FormulaC17H13F3N4O
Molecular Weight346.31 g/mol
Exact Mass346.10
IUPAC Name7-methyl-5-[2-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one
SMILESCc1nc2ccc(C(F)(F)F)c(-c3cc(C)c4c(c3)CC(=O)N4)n2n1
InChIInChI=1S/C17H13F3N4O/c1-8-5-11(6-10-7-14(25)22-15(8)10)16-12(17(18,19)20)3-4-13-21-9(2)23-24(13)16/h3-6H,7H2,1-2H3,(H,22,25)
InChIKeyUFCIGRPXLVYLLH-UHFFFAOYSA-N
XLogP3.53
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-[2-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 7-methyl-5-[2-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one (CID 134458106) is 7-methyl-5-[2-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-methyl-5-[2-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 7-methyl-5-[2-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one is Cc1nc2ccc(C(F)(F)F)c(-c3cc(C)c4c(c3)CC(=O)N4)n2n1.
What is the InChIKey of 7-methyl-5-[2-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one?
The InChIKey is UFCIGRPXLVYLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O/c1-8-5-11(6-10-7-14(25)22-15(8)10)16-12(17(18,19)20)3-4-13-21-9(2)23-24(13)16/h3-6H,7H2,1-2H3,(H,22,25).
What are the key properties of 7-methyl-5-[2-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one?
7-methyl-5-[2-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one has a molecular weight of 346.31 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-[2-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 134458106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).