3-(5-bromo-6-methoxy-2-pyridinyl)-5-(2,4-difluorophenyl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-(2,4-difluorophenyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole

C38H35BrF4N10O4 — CID 157485098

About 3-(5-bromo-6-methoxy-2-pyridinyl)-5-(2,4-difluorophenyl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-(2,4-difluorophenyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole

3-(5-bromo-6-methoxy-2-pyridinyl)-5-(2,4-difluorophenyl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-(2,4-difluorophenyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole (PubChem CID 157485098) has the molecular formula C38H35BrF4N10O4 and a molecular weight of 851.66 g/mol. Its IUPAC name is 3-(5-bromo-6-methoxy-2-pyridinyl)-5-(2,4-difluorophenyl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-(2,4-difluorophenyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole.

Molecular Properties

• Compound Name: 3-(5-bromo-6-methoxy-2-pyridinyl)-5-(2,4-difluorophenyl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-(2,4-difluorophenyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole
• PubChem CID: 157485098
• Molecular Formula: C38H35BrF4N10O4
• Molecular Weight: 851.66 g/mol
• Exact Mass: 850.20
• IUPAC Name: 3-(5-bromo-6-methoxy-2-pyridinyl)-5-(2,4-difluorophenyl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-(2,4-difluorophenyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole
• SMILES: COc1nc(C2=NC(c3ccc(F)cc3F)CON2)ccc1-n1cnc(C)c1.COc1nc(C2=NC(c3ccc(F)cc3F)CON2)ccc1Br.Cc1cnc[nH]1
• InChI: InChI=1S/C19H17F2N5O2.C15H12BrF2N3O2.C4H6N2/c1-11-8-26(10-22-11)17-6-5-15(24-19(17)27-2)18-23-16(9-28-25-18)13-4-3-12(20)7-14(13)21;1-22-15-10(16)4-5-12(20-15)14-19-13(7-23-21-14)9-3-2-8(17)6-11(9)18;1-4-2-5-3-6-4/h3-8,10,16H,9H2,1-2H3,(H,23,25);2-6,13H,7H2,1H3,(H,19,21);2-3H,1H3,(H,5,6)
• InChIKey: BWPROSPZQRGWQK-UHFFFAOYSA-N
• XLogP: 6.76
• TPSA: 157.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	851.66
LogP ≤ 5	6.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-6-methoxy-2-pyridinyl)-5-(2,4-difluorophenyl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-(2,4-difluorophenyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole?

The IUPAC name of 3-(5-bromo-6-methoxy-2-pyridinyl)-5-(2,4-difluorophenyl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-(2,4-difluorophenyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole (CID 157485098) is 3-(5-bromo-6-methoxy-2-pyridinyl)-5-(2,4-difluorophenyl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-(2,4-difluorophenyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole.

What is the SMILES notation for 3-(5-bromo-6-methoxy-2-pyridinyl)-5-(2,4-difluorophenyl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-(2,4-difluorophenyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole?

The canonical SMILES for 3-(5-bromo-6-methoxy-2-pyridinyl)-5-(2,4-difluorophenyl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-(2,4-difluorophenyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole is COc1nc(C2=NC(c3ccc(F)cc3F)CON2)ccc1-n1cnc(C)c1.COc1nc(C2=NC(c3ccc(F)cc3F)CON2)ccc1Br.Cc1cnc[nH]1.

What is the InChIKey of 3-(5-bromo-6-methoxy-2-pyridinyl)-5-(2,4-difluorophenyl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-(2,4-difluorophenyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole?

The InChIKey is BWPROSPZQRGWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5O2.C15H12BrF2N3O2.C4H6N2/c1-11-8-26(10-22-11)17-6-5-15(24-19(17)27-2)18-23-16(9-28-25-18)13-4-3-12(20)7-14(13)21;1-22-15-10(16)4-5-12(20-15)14-19-13(7-23-21-14)9-3-2-8(17)6-11(9)18;1-4-2-5-3-6-4/h3-8,10,16H,9H2,1-2H3,(H,23,25);2-6,13H,7H2,1H3,(H,19,21);2-3H,1H3,(H,5,6).

What are the key properties of 3-(5-bromo-6-methoxy-2-pyridinyl)-5-(2,4-difluorophenyl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-(2,4-difluorophenyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole?

3-(5-bromo-6-methoxy-2-pyridinyl)-5-(2,4-difluorophenyl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-(2,4-difluorophenyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole has a molecular weight of 851.66 g/mol, XLogP of 6.76, 7 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-bromo-6-methoxy-2-pyridinyl)-5-(2,4-difluorophenyl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-(2,4-difluorophenyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole is sourced from PubChem (CID 157485098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).