6-N-(4-ethyl-2-fluorophenyl)-5-N-(2-fluoro-4-propylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

C21H20F2N6O — CID 123464356

About 6-N-(4-ethyl-2-fluorophenyl)-5-N-(2-fluoro-4-propylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

6-N-(4-ethyl-2-fluorophenyl)-5-N-(2-fluoro-4-propylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 123464356) has the molecular formula C21H20F2N6O and a molecular weight of 410.43 g/mol. Its IUPAC name is 6-N-(4-ethyl-2-fluorophenyl)-5-N-(2-fluoro-4-propylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

• Compound Name: 6-N-(4-ethyl-2-fluorophenyl)-5-N-(2-fluoro-4-propylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
• PubChem CID: 123464356
• Molecular Formula: C21H20F2N6O
• Molecular Weight: 410.43 g/mol
• Exact Mass: 410.17
• IUPAC Name: 6-N-(4-ethyl-2-fluorophenyl)-5-N-(2-fluoro-4-propylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
• SMILES: CCCc1ccc(Nc2nc3nonc3nc2Nc2ccc(CC)cc2F)c(F)c1
• InChI: InChI=1S/C21H20F2N6O/c1-3-5-13-7-9-17(15(23)11-13)25-19-18(26-20-21(27-19)29-30-28-20)24-16-8-6-12(4-2)10-14(16)22/h6-11H,3-5H2,1-2H3,(H,24,26,28)(H,25,27,29)
• InChIKey: YIMPFGKGXYJJTH-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 88.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.43
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-ethyl-2-fluorophenyl)-5-N-(2-fluoro-4-propylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?

The IUPAC name of 6-N-(4-ethyl-2-fluorophenyl)-5-N-(2-fluoro-4-propylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 123464356) is 6-N-(4-ethyl-2-fluorophenyl)-5-N-(2-fluoro-4-propylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

What is the SMILES notation for 6-N-(4-ethyl-2-fluorophenyl)-5-N-(2-fluoro-4-propylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?

The canonical SMILES for 6-N-(4-ethyl-2-fluorophenyl)-5-N-(2-fluoro-4-propylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is CCCc1ccc(Nc2nc3nonc3nc2Nc2ccc(CC)cc2F)c(F)c1.

What is the InChIKey of 6-N-(4-ethyl-2-fluorophenyl)-5-N-(2-fluoro-4-propylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?

The InChIKey is YIMPFGKGXYJJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N6O/c1-3-5-13-7-9-17(15(23)11-13)25-19-18(26-20-21(27-19)29-30-28-20)24-16-8-6-12(4-2)10-14(16)22/h6-11H,3-5H2,1-2H3,(H,24,26,28)(H,25,27,29).

What are the key properties of 6-N-(4-ethyl-2-fluorophenyl)-5-N-(2-fluoro-4-propylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?

6-N-(4-ethyl-2-fluorophenyl)-5-N-(2-fluoro-4-propylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 410.43 g/mol, XLogP of 5.29, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-(4-ethyl-2-fluorophenyl)-5-N-(2-fluoro-4-propylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 123464356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).