2-ethoxy-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-2,3-dihydroinden-1-one

C20H18FN3O2 — CID 23158365

IUPAC2-ethoxy-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-2,3-dihydroinden-1-one
SMILESCCOC1Cc2cc(-c3nnn(-c4ccccc4F)c3C)ccc2C1=O
InChIInChI=1S/C20H18FN3O2/c1-3-26-18-11-14-10-13(8-9-15(14)20(18)25)19-12(2)24(23-22-19)17-7-5-4-6-16(17)21/h4-10,18H,3,11H2,1-2H3
InChIKeyXARSZYGSWPYRET-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.53
Rot. Bonds4

About 2-ethoxy-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-2,3-dihydroinden-1-one

2-ethoxy-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-2,3-dihydroinden-1-one (PubChem CID 23158365) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is 2-ethoxy-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-ethoxy-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-2,3-dihydroinden-1-one
PubChem CID23158365
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name2-ethoxy-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-2,3-dihydroinden-1-one
SMILESCCOC1Cc2cc(-c3nnn(-c4ccccc4F)c3C)ccc2C1=O
InChIInChI=1S/C20H18FN3O2/c1-3-26-18-11-14-10-13(8-9-15(14)20(18)25)19-12(2)24(23-22-19)17-7-5-4-6-16(17)21/h4-10,18H,3,11H2,1-2H3
InChIKeyXARSZYGSWPYRET-UHFFFAOYSA-N
XLogP3.53
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-2-[(1-methylcyclopropyl)methyl]-3H-isoindol-1-one
CID 58328337
2-cyclopropyl-5-[1-(2,4-difluorophenyl)-5-methyltriazol-4-yl]-3H-isoindol-1-one
CID 23158354
5-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]-2-(2-methylpropyl)-3H-isoindol-1-one
CID 11772945
5-[1-(4-chloro-2-fluorophenyl)-5-methyltriazol-4-yl]-2-cyclopropyl-3H-isoindol-1-one
CID 23158117
2-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-6-propyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 23158211
6-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-2-(2-methoxyethyl)imidazo[1,2-a]pyridine
CID 23158258
2-cyclopropyl-5-(5-methyl-1-phenyltriazol-4-yl)-3H-isoindol-1-one
CID 23158371
5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 20937970
[1-(2-fluorophenyl)-5-methyltriazol-4-yl]methanol;hydrochloride
CID 155821941
2-[4-[1-(2-fluorophenyl)-5-methyltriazole-4-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 46957228
[1-(2-fluorophenyl)-5-methyltriazol-4-yl]methanediol
CID 163437904
6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]-2-methylisoquinolin-1-one
CID 23158245

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-2,3-dihydroinden-1-one?
The IUPAC name of 2-ethoxy-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-2,3-dihydroinden-1-one (CID 23158365) is 2-ethoxy-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-ethoxy-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-2,3-dihydroinden-1-one?
The canonical SMILES for 2-ethoxy-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-2,3-dihydroinden-1-one is CCOC1Cc2cc(-c3nnn(-c4ccccc4F)c3C)ccc2C1=O.
What is the InChIKey of 2-ethoxy-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-2,3-dihydroinden-1-one?
The InChIKey is XARSZYGSWPYRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-3-26-18-11-14-10-13(8-9-15(14)20(18)25)19-12(2)24(23-22-19)17-7-5-4-6-16(17)21/h4-10,18H,3,11H2,1-2H3.
What are the key properties of 2-ethoxy-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-2,3-dihydroinden-1-one?
2-ethoxy-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-2,3-dihydroinden-1-one has a molecular weight of 351.38 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 23158365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).