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

C35H43BrF4N10O4 — CID 160595685

About 3-(5-bromo-6-methoxy-2-pyridinyl)-5-(3,3-difluorocyclobutyl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-(3,3-difluorocyclobutyl)-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-(3,3-difluorocyclobutyl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-(3,3-difluorocyclobutyl)-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 160595685) has the molecular formula C35H43BrF4N10O4 and a molecular weight of 823.69 g/mol. Its IUPAC name is 3-(5-bromo-6-methoxy-2-pyridinyl)-5-(3,3-difluorocyclobutyl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-(3,3-difluorocyclobutyl)-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-(3,3-difluorocyclobutyl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-(3,3-difluorocyclobutyl)-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: 160595685
• Molecular Formula: C35H43BrF4N10O4
• Molecular Weight: 823.69 g/mol
• Exact Mass: 822.26
• IUPAC Name: 3-(5-bromo-6-methoxy-2-pyridinyl)-5-(3,3-difluorocyclobutyl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-(3,3-difluorocyclobutyl)-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(C3CC(F)(F)C3)CON2)ccc1-n1cnc(C)c1.COc1nc(C2=NC(C3CC(F)(F)C3)CON2)ccc1Br.Cc1cnc[nH]1
• InChI: InChI=1S/C17H19F2N5O2.C13H14BrF2N3O2.C4H6N2.CH4/c1-10-7-24(9-20-10)14-4-3-12(22-16(14)25-2)15-21-13(8-26-23-15)11-5-17(18,19)6-11;1-20-12-8(14)2-3-9(18-12)11-17-10(6-21-19-11)7-4-13(15,16)5-7;1-4-2-5-3-6-4;/h3-4,7,9,11,13H,5-6,8H2,1-2H3,(H,21,23);2-3,7,10H,4-6H2,1H3,(H,17,19);2-3H,1H3,(H,5,6);1H4
• InChIKey: RDPGBXMJCXKRBC-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 157.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	823.69
LogP ≤ 5	6.18
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-(3,3-difluorocyclobutyl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-(3,3-difluorocyclobutyl)-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-(3,3-difluorocyclobutyl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-(3,3-difluorocyclobutyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;methane;5-methyl-1H-imidazole (CID 160595685) is 3-(5-bromo-6-methoxy-2-pyridinyl)-5-(3,3-difluorocyclobutyl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-(3,3-difluorocyclobutyl)-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-(3,3-difluorocyclobutyl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-(3,3-difluorocyclobutyl)-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-(3,3-difluorocyclobutyl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-(3,3-difluorocyclobutyl)-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(C3CC(F)(F)C3)CON2)ccc1-n1cnc(C)c1.COc1nc(C2=NC(C3CC(F)(F)C3)CON2)ccc1Br.Cc1cnc[nH]1.

What is the InChIKey of 3-(5-bromo-6-methoxy-2-pyridinyl)-5-(3,3-difluorocyclobutyl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-(3,3-difluorocyclobutyl)-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 RDPGBXMJCXKRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N5O2.C13H14BrF2N3O2.C4H6N2.CH4/c1-10-7-24(9-20-10)14-4-3-12(22-16(14)25-2)15-21-13(8-26-23-15)11-5-17(18,19)6-11;1-20-12-8(14)2-3-9(18-12)11-17-10(6-21-19-11)7-4-13(15,16)5-7;1-4-2-5-3-6-4;/h3-4,7,9,11,13H,5-6,8H2,1-2H3,(H,21,23);2-3,7,10H,4-6H2,1H3,(H,17,19);2-3H,1H3,(H,5,6);1H4.

What are the key properties of 3-(5-bromo-6-methoxy-2-pyridinyl)-5-(3,3-difluorocyclobutyl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-(3,3-difluorocyclobutyl)-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-(3,3-difluorocyclobutyl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-(3,3-difluorocyclobutyl)-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 823.69 g/mol, XLogP of 6.18, 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-(3,3-difluorocyclobutyl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-(3,3-difluorocyclobutyl)-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 160595685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).