[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-(3,5-dimethylmorpholin-4-yl)methanone

C22H23FN6O3 — CID 19433511

About [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-(3,5-dimethylmorpholin-4-yl)methanone

[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-(3,5-dimethylmorpholin-4-yl)methanone (PubChem CID 19433511) has the molecular formula C22H23FN6O3 and a molecular weight of 438.46 g/mol. Its IUPAC name is [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-(3,5-dimethylmorpholin-4-yl)methanone.

Molecular Properties

• Compound Name: [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-(3,5-dimethylmorpholin-4-yl)methanone
• PubChem CID: 19433511
• Molecular Formula: C22H23FN6O3
• Molecular Weight: 438.46 g/mol
• Exact Mass: 438.18
• IUPAC Name: [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-(3,5-dimethylmorpholin-4-yl)methanone
• SMILES: CC1COCC(C)N1C(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccc(F)cc21
• InChI: InChI=1S/C22H23FN6O3/c1-12-9-31-10-13(2)29(12)22(30)27-8-18-19(20-25-21(32-26-20)14-3-4-14)24-11-28(18)16-6-5-15(23)7-17(16)27/h5-7,11-14H,3-4,8-10H2,1-2H3
• InChIKey: OJHCJZNLLBZAIC-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 89.52 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.46
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-(3,5-dimethylmorpholin-4-yl)methanone?

The IUPAC name of [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-(3,5-dimethylmorpholin-4-yl)methanone (CID 19433511) is [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-(3,5-dimethylmorpholin-4-yl)methanone.

What is the SMILES notation for [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-(3,5-dimethylmorpholin-4-yl)methanone?

The canonical SMILES for [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-(3,5-dimethylmorpholin-4-yl)methanone is CC1COCC(C)N1C(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccc(F)cc21.

What is the InChIKey of [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-(3,5-dimethylmorpholin-4-yl)methanone?

The InChIKey is OJHCJZNLLBZAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O3/c1-12-9-31-10-13(2)29(12)22(30)27-8-18-19(20-25-21(32-26-20)14-3-4-14)24-11-28(18)16-6-5-15(23)7-17(16)27/h5-7,11-14H,3-4,8-10H2,1-2H3.

What are the key properties of [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-(3,5-dimethylmorpholin-4-yl)methanone?

[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-(3,5-dimethylmorpholin-4-yl)methanone has a molecular weight of 438.46 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-(3,5-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 19433511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).