3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-fluoro-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one

C22H25FN6O3 — CID 67886024

IUPAC3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-fluoro-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one
SMILESCC(C)(C)c1nc(-c2ncn3c2c(=O)n(CCN2CCOCC2)c2cc(F)ccc23)no1
InChIInChI=1S/C22H25FN6O3/c1-22(2,3)21-25-19(26-32-21)17-18-20(30)28(7-6-27-8-10-31-11-9-27)16-12-14(23)4-5-15(16)29(18)13-24-17/h4-5,12-13H,6-11H2,1-3H3
InChIKeyWXSYICIKSZMTLD-UHFFFAOYSA-N
MW440.48 g/mol
LogP2.47
Rot. Bonds4

About 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-fluoro-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one

3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-fluoro-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one (PubChem CID 67886024) has the molecular formula C22H25FN6O3 and a molecular weight of 440.48 g/mol. Its IUPAC name is 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-fluoro-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-fluoro-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one
PubChem CID67886024
Molecular FormulaC22H25FN6O3
Molecular Weight440.48 g/mol
Exact Mass440.20
IUPAC Name3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-fluoro-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one
SMILESCC(C)(C)c1nc(-c2ncn3c2c(=O)n(CCN2CCOCC2)c2cc(F)ccc23)no1
InChIInChI=1S/C22H25FN6O3/c1-22(2,3)21-25-19(26-32-21)17-18-20(30)28(7-6-27-8-10-31-11-9-27)16-12-14(23)4-5-15(16)29(18)13-24-17/h4-5,12-13H,6-11H2,1-3H3
InChIKeyWXSYICIKSZMTLD-UHFFFAOYSA-N
XLogP2.47
TPSA90.69 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-fluoro-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one with MolForge

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Launch Full Analysis

Related Compounds

7-fluoro-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67889655
7-fluoro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
CID 67889296
7-fluoro-3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one
CID 56614313
7-fluoro-5-[2-(3-hydroxypiperidin-1-yl)ethyl]-3-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
CID 67889484
7-fluoro-5-(2-methoxyethyl)-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
CID 67887832
3-[5-(5,5-dimethyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]-7-fluoro-5-[2-(3-hydroxypiperidin-1-yl)ethyl]imidazo[1,5-a]quinoxalin-4-one
CID 67889566
7-fluoro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67889189
7-fluoro-3-[5-(1-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-5-(2-morpholin-4-ylethyl)-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67888335
5-[2-(3-hydroxypiperidin-1-yl)ethyl]-3-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
CID 67888939
7-fluoro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67889658
6-fluoro-3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67886891
7-chloro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
CID 67889666

Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-fluoro-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-fluoro-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one (CID 67886024) is 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-fluoro-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-fluoro-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-fluoro-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one is CC(C)(C)c1nc(-c2ncn3c2c(=O)n(CCN2CCOCC2)c2cc(F)ccc23)no1.
What is the InChIKey of 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-fluoro-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is WXSYICIKSZMTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O3/c1-22(2,3)21-25-19(26-32-21)17-18-20(30)28(7-6-27-8-10-31-11-9-27)16-12-14(23)4-5-15(16)29(18)13-24-17/h4-5,12-13H,6-11H2,1-3H3.
What are the key properties of 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-fluoro-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one?
3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-fluoro-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 440.48 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-fluoro-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 67886024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).