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

C18H16F2N4O — CID 172694747

IUPAC5-[[6-(difluoromethyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-1,3-dihydroindol-2-one
SMILESCCc1c(C(F)F)ccc2nc(Cc3ccc4c(c3)CC(=O)N4)nn12
InChIInChI=1S/C18H16F2N4O/c1-2-14-12(18(19)20)4-6-16-22-15(23-24(14)16)8-10-3-5-13-11(7-10)9-17(25)21-13/h3-7,18H,2,8-9H2,1H3,(H,21,25)
InChIKeyCEBGAFCPUMGMRJ-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.31
Rot. Bonds4

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

5-[[6-(difluoromethyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-1,3-dihydroindol-2-one (PubChem CID 172694747) has the molecular formula C18H16F2N4O and a molecular weight of 342.35 g/mol. Its IUPAC name is 5-[[6-(difluoromethyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[[6-(difluoromethyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-1,3-dihydroindol-2-one
PubChem CID172694747
Molecular FormulaC18H16F2N4O
Molecular Weight342.35 g/mol
Exact Mass342.13
IUPAC Name5-[[6-(difluoromethyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-1,3-dihydroindol-2-one
SMILESCCc1c(C(F)F)ccc2nc(Cc3ccc4c(c3)CC(=O)N4)nn12
InChIInChI=1S/C18H16F2N4O/c1-2-14-12(18(19)20)4-6-16-22-15(23-24(14)16)8-10-3-5-13-11(7-10)9-17(25)21-13/h3-7,18H,2,8-9H2,1H3,(H,21,25)
InChIKeyCEBGAFCPUMGMRJ-UHFFFAOYSA-N
XLogP3.31
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-(difluoromethyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[[6-(difluoromethyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-1,3-dihydroindol-2-one (CID 172694747) is 5-[[6-(difluoromethyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[[6-(difluoromethyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[[6-(difluoromethyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-1,3-dihydroindol-2-one is CCc1c(C(F)F)ccc2nc(Cc3ccc4c(c3)CC(=O)N4)nn12.
What is the InChIKey of 5-[[6-(difluoromethyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-1,3-dihydroindol-2-one?
The InChIKey is CEBGAFCPUMGMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O/c1-2-14-12(18(19)20)4-6-16-22-15(23-24(14)16)8-10-3-5-13-11(7-10)9-17(25)21-13/h3-7,18H,2,8-9H2,1H3,(H,21,25).
What are the key properties of 5-[[6-(difluoromethyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-1,3-dihydroindol-2-one?
5-[[6-(difluoromethyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-1,3-dihydroindol-2-one has a molecular weight of 342.35 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(difluoromethyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 172694747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).