5-N,6-N-bis(2-fluorophenyl)-5-N,6-N-dimethyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-fluorophenyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;N-(2-fluorophenyl)-6-[(2-fluorophenyl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine

C52H37F6N17O3 — CID 158286605

About 5-N,6-N-bis(2-fluorophenyl)-5-N,6-N-dimethyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-fluorophenyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;N-(2-fluorophenyl)-6-[(2-fluorophenyl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine

5-N,6-N-bis(2-fluorophenyl)-5-N,6-N-dimethyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-fluorophenyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;N-(2-fluorophenyl)-6-[(2-fluorophenyl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine (PubChem CID 158286605) has the molecular formula C52H37F6N17O3 and a molecular weight of 1061.97 g/mol. Its IUPAC name is 5-N,6-N-bis(2-fluorophenyl)-5-N,6-N-dimethyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-fluorophenyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;N-(2-fluorophenyl)-6-[(2-fluorophenyl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine.

Molecular Properties

• Compound Name: 5-N,6-N-bis(2-fluorophenyl)-5-N,6-N-dimethyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-fluorophenyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;N-(2-fluorophenyl)-6-[(2-fluorophenyl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
• PubChem CID: 158286605
• Molecular Formula: C52H37F6N17O3
• Molecular Weight: 1061.97 g/mol
• Exact Mass: 1061.32
• IUPAC Name: 5-N,6-N-bis(2-fluorophenyl)-5-N,6-N-dimethyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-fluorophenyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;N-(2-fluorophenyl)-6-[(2-fluorophenyl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
• SMILES: CN(c1ccccc1F)c1nc2nonc2nc1N(C)c1ccccc1F.CN(c1ccccc1F)c1nc2nonc2nc1Nc1ccccc1F.Fc1ccccc1Cc1nc2nonc2nc1Nc1ccccc1F
• InChI: InChI=1S/C18H14F2N6O.C17H12F2N6O.C17H11F2N5O/c1-25(13-9-5-3-7-11(13)19)17-18(22-16-15(21-17)23-27-24-16)26(2)14-10-6-4-8-12(14)20;1-25(13-9-5-3-7-11(13)19)17-16(20-12-8-4-2-6-10(12)18)21-14-15(22-17)24-26-23-14;18-11-6-2-1-5-10(11)9-14-15(20-13-8-4-3-7-12(13)19)22-17-16(21-14)23-25-24-17/h3-10H,1-2H3;2-9H,1H3,(H,20,21,23);1-8H,9H2,(H,20,22,24)
• InChIKey: GKVVRAOALLBITM-UHFFFAOYSA-N
• XLogP: 11.25
• TPSA: 227.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1061.97
LogP ≤ 5	11.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 5-N,6-N-bis(2-fluorophenyl)-5-N,6-N-dimethyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-fluorophenyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;N-(2-fluorophenyl)-6-[(2-fluorophenyl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine?

The IUPAC name of 5-N,6-N-bis(2-fluorophenyl)-5-N,6-N-dimethyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-fluorophenyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;N-(2-fluorophenyl)-6-[(2-fluorophenyl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine (CID 158286605) is 5-N,6-N-bis(2-fluorophenyl)-5-N,6-N-dimethyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-fluorophenyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;N-(2-fluorophenyl)-6-[(2-fluorophenyl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine.

What is the SMILES notation for 5-N,6-N-bis(2-fluorophenyl)-5-N,6-N-dimethyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-fluorophenyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;N-(2-fluorophenyl)-6-[(2-fluorophenyl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine?

The canonical SMILES for 5-N,6-N-bis(2-fluorophenyl)-5-N,6-N-dimethyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-fluorophenyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;N-(2-fluorophenyl)-6-[(2-fluorophenyl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine is CN(c1ccccc1F)c1nc2nonc2nc1N(C)c1ccccc1F.CN(c1ccccc1F)c1nc2nonc2nc1Nc1ccccc1F.Fc1ccccc1Cc1nc2nonc2nc1Nc1ccccc1F.

What is the InChIKey of 5-N,6-N-bis(2-fluorophenyl)-5-N,6-N-dimethyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-fluorophenyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;N-(2-fluorophenyl)-6-[(2-fluorophenyl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine?

The InChIKey is GKVVRAOALLBITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N6O.C17H12F2N6O.C17H11F2N5O/c1-25(13-9-5-3-7-11(13)19)17-18(22-16-15(21-17)23-27-24-16)26(2)14-10-6-4-8-12(14)20;1-25(13-9-5-3-7-11(13)19)17-16(20-12-8-4-2-6-10(12)18)21-14-15(22-17)24-26-23-14;18-11-6-2-1-5-10(11)9-14-15(20-13-8-4-3-7-12(13)19)22-17-16(21-14)23-25-24-17/h3-10H,1-2H3;2-9H,1H3,(H,20,21,23);1-8H,9H2,(H,20,22,24).

What are the key properties of 5-N,6-N-bis(2-fluorophenyl)-5-N,6-N-dimethyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-fluorophenyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;N-(2-fluorophenyl)-6-[(2-fluorophenyl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine?

5-N,6-N-bis(2-fluorophenyl)-5-N,6-N-dimethyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-fluorophenyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;N-(2-fluorophenyl)-6-[(2-fluorophenyl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine has a molecular weight of 1061.97 g/mol, XLogP of 11.25, 12 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N,6-N-bis(2-fluorophenyl)-5-N,6-N-dimethyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-fluorophenyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;N-(2-fluorophenyl)-6-[(2-fluorophenyl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 158286605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).