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

C38H47BrF4N10O4 — CID 158080258

About 3-(5-bromo-6-methoxy-2-pyridinyl)-5-(4,4-difluorocyclohexyl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-(4,4-difluorocyclohexyl)-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-(4,4-difluorocyclohexyl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-(4,4-difluorocyclohexyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole (PubChem CID 158080258) has the molecular formula C38H47BrF4N10O4 and a molecular weight of 863.76 g/mol. Its IUPAC name is 3-(5-bromo-6-methoxy-2-pyridinyl)-5-(4,4-difluorocyclohexyl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-(4,4-difluorocyclohexyl)-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-(4,4-difluorocyclohexyl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-(4,4-difluorocyclohexyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole
• PubChem CID: 158080258
• Molecular Formula: C38H47BrF4N10O4
• Molecular Weight: 863.76 g/mol
• Exact Mass: 862.29
• IUPAC Name: 3-(5-bromo-6-methoxy-2-pyridinyl)-5-(4,4-difluorocyclohexyl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-(4,4-difluorocyclohexyl)-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)(F)CC3)CON2)ccc1-n1cnc(C)c1.COc1nc(C2=NC(C3CCC(F)(F)CC3)CON2)ccc1Br.Cc1cnc[nH]1
• InChI: InChI=1S/C19H23F2N5O2.C15H18BrF2N3O2.C4H6N2/c1-12-9-26(11-22-12)16-4-3-14(24-18(16)27-2)17-23-15(10-28-25-17)13-5-7-19(20,21)8-6-13;1-22-14-10(16)2-3-11(20-14)13-19-12(8-23-21-13)9-4-6-15(17,18)7-5-9;1-4-2-5-3-6-4/h3-4,9,11,13,15H,5-8,10H2,1-2H3,(H,23,25);2-3,9,12H,4-8H2,1H3,(H,19,21);2-3H,1H3,(H,5,6)
• InChIKey: FMWHGFHXBICWBG-UHFFFAOYSA-N
• XLogP: 7.11
• 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	863.76
LogP ≤ 5	7.11
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-(4,4-difluorocyclohexyl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-(4,4-difluorocyclohexyl)-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-(4,4-difluorocyclohexyl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-(4,4-difluorocyclohexyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole (CID 158080258) is 3-(5-bromo-6-methoxy-2-pyridinyl)-5-(4,4-difluorocyclohexyl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-(4,4-difluorocyclohexyl)-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-(4,4-difluorocyclohexyl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-(4,4-difluorocyclohexyl)-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-(4,4-difluorocyclohexyl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-(4,4-difluorocyclohexyl)-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)(F)CC3)CON2)ccc1-n1cnc(C)c1.COc1nc(C2=NC(C3CCC(F)(F)CC3)CON2)ccc1Br.Cc1cnc[nH]1.

What is the InChIKey of 3-(5-bromo-6-methoxy-2-pyridinyl)-5-(4,4-difluorocyclohexyl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-(4,4-difluorocyclohexyl)-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 FMWHGFHXBICWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N5O2.C15H18BrF2N3O2.C4H6N2/c1-12-9-26(11-22-12)16-4-3-14(24-18(16)27-2)17-23-15(10-28-25-17)13-5-7-19(20,21)8-6-13;1-22-14-10(16)2-3-11(20-14)13-19-12(8-23-21-13)9-4-6-15(17,18)7-5-9;1-4-2-5-3-6-4/h3-4,9,11,13,15H,5-8,10H2,1-2H3,(H,23,25);2-3,9,12H,4-8H2,1H3,(H,19,21);2-3H,1H3,(H,5,6).

What are the key properties of 3-(5-bromo-6-methoxy-2-pyridinyl)-5-(4,4-difluorocyclohexyl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-(4,4-difluorocyclohexyl)-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-(4,4-difluorocyclohexyl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-(4,4-difluorocyclohexyl)-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 863.76 g/mol, XLogP of 7.11, 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-(4,4-difluorocyclohexyl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-(4,4-difluorocyclohexyl)-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 158080258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).