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

C18H16F2N4O — CID 134452555

IUPAC5-[6-(difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one
SMILESCCc1nc2ccc(C(F)F)c(-c3cc(C)c4c(c3)CC(=O)N4)n2n1
InChIInChI=1S/C18H16F2N4O/c1-3-13-21-14-5-4-12(18(19)20)17(24(14)23-13)11-6-9(2)16-10(7-11)8-15(25)22-16/h4-7,18H,3,8H2,1-2H3,(H,22,25)
InChIKeyIQCDBVKHJFLEGZ-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.70
Rot. Bonds3

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

5-[6-(difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one (PubChem CID 134452555) has the molecular formula C18H16F2N4O and a molecular weight of 342.35 g/mol. Its IUPAC name is 5-[6-(difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[6-(difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one
PubChem CID134452555
Molecular FormulaC18H16F2N4O
Molecular Weight342.35 g/mol
Exact Mass342.13
IUPAC Name5-[6-(difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one
SMILESCCc1nc2ccc(C(F)F)c(-c3cc(C)c4c(c3)CC(=O)N4)n2n1
InChIInChI=1S/C18H16F2N4O/c1-3-13-21-14-5-4-12(18(19)20)17(24(14)23-13)11-6-9(2)16-10(7-11)8-15(25)22-16/h4-7,18H,3,8H2,1-2H3,(H,22,25)
InChIKeyIQCDBVKHJFLEGZ-UHFFFAOYSA-N
XLogP3.70
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-[6-(difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one (CID 134452555) is 5-[6-(difluoromethyl)-2-ethyl-[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-(difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[6-(difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one is CCc1nc2ccc(C(F)F)c(-c3cc(C)c4c(c3)CC(=O)N4)n2n1.
What is the InChIKey of 5-[6-(difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one?
The InChIKey is IQCDBVKHJFLEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O/c1-3-13-21-14-5-4-12(18(19)20)17(24(14)23-13)11-6-9(2)16-10(7-11)8-15(25)22-16/h4-7,18H,3,8H2,1-2H3,(H,22,25).
What are the key properties of 5-[6-(difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one?
5-[6-(difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one has a molecular weight of 342.35 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-7-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 134452555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).