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

C18H16F2N4O — CID 172802981

IUPAC5-[6-(difluoromethyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-methyl-3H-indol-2-one
SMILESCCc1c(C(F)F)ccc2nc(-c3ccc4c(c3)CC(=O)N4C)nn12
InChIInChI=1S/C18H16F2N4O/c1-3-13-12(17(19)20)5-7-15-21-18(22-24(13)15)10-4-6-14-11(8-10)9-16(25)23(14)2/h4-8,17H,3,9H2,1-2H3
InChIKeyRCUPILZBDIZRFK-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.42
Rot. Bonds3

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

5-[6-(difluoromethyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-methyl-3H-indol-2-one (PubChem CID 172802981) 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]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[6-(difluoromethyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-methyl-3H-indol-2-one
PubChem CID172802981
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]-1-methyl-3H-indol-2-one
SMILESCCc1c(C(F)F)ccc2nc(-c3ccc4c(c3)CC(=O)N4C)nn12
InChIInChI=1S/C18H16F2N4O/c1-3-13-12(17(19)20)5-7-15-21-18(22-24(13)15)10-4-6-14-11(8-10)9-16(25)23(14)2/h4-8,17H,3,9H2,1-2H3
InChIKeyRCUPILZBDIZRFK-UHFFFAOYSA-N
XLogP3.42
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.42
H-Bond Donors ≤ 50
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]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[6-(difluoromethyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-methyl-3H-indol-2-one (CID 172802981) is 5-[6-(difluoromethyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[6-(difluoromethyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[6-(difluoromethyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-methyl-3H-indol-2-one is CCc1c(C(F)F)ccc2nc(-c3ccc4c(c3)CC(=O)N4C)nn12.
What is the InChIKey of 5-[6-(difluoromethyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-methyl-3H-indol-2-one?
The InChIKey is RCUPILZBDIZRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O/c1-3-13-12(17(19)20)5-7-15-21-18(22-24(13)15)10-4-6-14-11(8-10)9-16(25)23(14)2/h4-8,17H,3,9H2,1-2H3.
What are the key properties of 5-[6-(difluoromethyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-methyl-3H-indol-2-one?
5-[6-(difluoromethyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-methyl-3H-indol-2-one has a molecular weight of 342.35 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 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]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 172802981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).