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

C47H45BrF8N12O4 — CID 159622619

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

3-(5-bromo-6-methoxy-2-pyridinyl)-5-[6-fluoro-1-methyl-5-(trifluoromethyl)indol-3-yl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-[6-fluoro-1-methyl-5-(trifluoromethyl)indol-3-yl]-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;methane;5-methyl-1H-imidazole (PubChem CID 159622619) has the molecular formula C47H45BrF8N12O4 and a molecular weight of 1073.84 g/mol. Its IUPAC name is 3-(5-bromo-6-methoxy-2-pyridinyl)-5-[6-fluoro-1-methyl-5-(trifluoromethyl)indol-3-yl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-[6-fluoro-1-methyl-5-(trifluoromethyl)indol-3-yl]-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;methane;5-methyl-1H-imidazole.

Molecular Properties

• Compound Name: 3-(5-bromo-6-methoxy-2-pyridinyl)-5-[6-fluoro-1-methyl-5-(trifluoromethyl)indol-3-yl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-[6-fluoro-1-methyl-5-(trifluoromethyl)indol-3-yl]-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;methane;5-methyl-1H-imidazole
• PubChem CID: 159622619
• Molecular Formula: C47H45BrF8N12O4
• Molecular Weight: 1073.84 g/mol
• Exact Mass: 1072.27
• IUPAC Name: 3-(5-bromo-6-methoxy-2-pyridinyl)-5-[6-fluoro-1-methyl-5-(trifluoromethyl)indol-3-yl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-[6-fluoro-1-methyl-5-(trifluoromethyl)indol-3-yl]-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;methane;5-methyl-1H-imidazole
• SMILES: C.COc1nc(C2=NC(c3cn(C)c4cc(F)c(C(F)(F)F)cc34)CON2)ccc1-n1cnc(C)c1.COc1nc(C2=NC(c3cn(C)c4cc(F)c(C(F)(F)F)cc34)CON2)ccc1Br.Cc1cnc[nH]1
• InChI: InChI=1S/C23H20F4N6O2.C19H15BrF4N4O2.C4H6N2.CH4/c1-12-8-33(11-28-12)19-5-4-17(30-22(19)34-3)21-29-18(10-35-31-21)14-9-32(2)20-7-16(24)15(6-13(14)20)23(25,26)27;1-28-7-10(9-5-11(19(22,23)24)13(21)6-16(9)28)15-8-30-27-17(25-15)14-4-3-12(20)18(26-14)29-2;1-4-2-5-3-6-4;/h4-9,11,18H,10H2,1-3H3,(H,29,31);3-7,15H,8H2,1-2H3,(H,25,27);2-3H,1H3,(H,5,6);1H4
• InChIKey: MOBSPJAQBCOOMA-UHFFFAOYSA-N
• XLogP: 10.14
• TPSA: 167.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1073.84
LogP ≤ 5	10.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

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

The IUPAC name of 3-(5-bromo-6-methoxy-2-pyridinyl)-5-[6-fluoro-1-methyl-5-(trifluoromethyl)indol-3-yl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-[6-fluoro-1-methyl-5-(trifluoromethyl)indol-3-yl]-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;methane;5-methyl-1H-imidazole (CID 159622619) is 3-(5-bromo-6-methoxy-2-pyridinyl)-5-[6-fluoro-1-methyl-5-(trifluoromethyl)indol-3-yl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-[6-fluoro-1-methyl-5-(trifluoromethyl)indol-3-yl]-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;methane;5-methyl-1H-imidazole.

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

The canonical SMILES for 3-(5-bromo-6-methoxy-2-pyridinyl)-5-[6-fluoro-1-methyl-5-(trifluoromethyl)indol-3-yl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-[6-fluoro-1-methyl-5-(trifluoromethyl)indol-3-yl]-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;methane;5-methyl-1H-imidazole is C.COc1nc(C2=NC(c3cn(C)c4cc(F)c(C(F)(F)F)cc34)CON2)ccc1-n1cnc(C)c1.COc1nc(C2=NC(c3cn(C)c4cc(F)c(C(F)(F)F)cc34)CON2)ccc1Br.Cc1cnc[nH]1.

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

The InChIKey is MOBSPJAQBCOOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F4N6O2.C19H15BrF4N4O2.C4H6N2.CH4/c1-12-8-33(11-28-12)19-5-4-17(30-22(19)34-3)21-29-18(10-35-31-21)14-9-32(2)20-7-16(24)15(6-13(14)20)23(25,26)27;1-28-7-10(9-5-11(19(22,23)24)13(21)6-16(9)28)15-8-30-27-17(25-15)14-4-3-12(20)18(26-14)29-2;1-4-2-5-3-6-4;/h4-9,11,18H,10H2,1-3H3,(H,29,31);3-7,15H,8H2,1-2H3,(H,25,27);2-3H,1H3,(H,5,6);1H4.

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

3-(5-bromo-6-methoxy-2-pyridinyl)-5-[6-fluoro-1-methyl-5-(trifluoromethyl)indol-3-yl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-[6-fluoro-1-methyl-5-(trifluoromethyl)indol-3-yl]-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;methane;5-methyl-1H-imidazole has a molecular weight of 1073.84 g/mol, XLogP of 10.14, 7 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-bromo-6-methoxy-2-pyridinyl)-5-[6-fluoro-1-methyl-5-(trifluoromethyl)indol-3-yl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-[6-fluoro-1-methyl-5-(trifluoromethyl)indol-3-yl]-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;methane;5-methyl-1H-imidazole is sourced from PubChem (CID 159622619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).