5-N-(4-chloro-2-fluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(2,4-difluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

C34H22ClF5N12O2 — CID 158352928

About 5-N-(4-chloro-2-fluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(2,4-difluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

5-N-(4-chloro-2-fluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(2,4-difluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 158352928) has the molecular formula C34H22ClF5N12O2 and a molecular weight of 761.08 g/mol. Its IUPAC name is 5-N-(4-chloro-2-fluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(2,4-difluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

• Compound Name: 5-N-(4-chloro-2-fluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(2,4-difluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
• PubChem CID: 158352928
• Molecular Formula: C34H22ClF5N12O2
• Molecular Weight: 761.08 g/mol
• Exact Mass: 760.16
• IUPAC Name: 5-N-(4-chloro-2-fluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(2,4-difluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
• SMILES: Cc1ccc(Nc2nc3nonc3nc2Nc2ccc(Cl)cc2F)c(F)c1.Cc1ccc(Nc2nc3nonc3nc2Nc2ccc(F)cc2F)c(F)c1
• InChI: InChI=1S/C17H11ClF2N6O.C17H11F3N6O/c2*1-8-2-4-12(10(19)6-8)21-14-15(24-17-16(23-14)25-27-26-17)22-13-5-3-9(18)7-11(13)20/h2*2-7H,1H3,(H,21,23,25)(H,22,24,26)
• InChIKey: GSNNQIZZSTXKLI-UHFFFAOYSA-N
• XLogP: 8.97
• TPSA: 177.52 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	761.08
LogP ≤ 5	8.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

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

The IUPAC name of 5-N-(4-chloro-2-fluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(2,4-difluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 158352928) is 5-N-(4-chloro-2-fluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(2,4-difluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

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

The canonical SMILES for 5-N-(4-chloro-2-fluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(2,4-difluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is Cc1ccc(Nc2nc3nonc3nc2Nc2ccc(Cl)cc2F)c(F)c1.Cc1ccc(Nc2nc3nonc3nc2Nc2ccc(F)cc2F)c(F)c1.

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

The InChIKey is GSNNQIZZSTXKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF2N6O.C17H11F3N6O/c2*1-8-2-4-12(10(19)6-8)21-14-15(24-17-16(23-14)25-27-26-17)22-13-5-3-9(18)7-11(13)20/h2*2-7H,1H3,(H,21,23,25)(H,22,24,26).

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

5-N-(4-chloro-2-fluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(2,4-difluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 761.08 g/mol, XLogP of 8.97, 8 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-(4-chloro-2-fluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(2,4-difluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 158352928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).