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

C37H51BrN10O4 — CID 157295707

About 3-(5-bromo-6-methoxy-2-pyridinyl)-5-cyclopentyl-5,6-dihydro-2H-1,2,4-oxadiazine;5-cyclopentyl-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-cyclopentyl-5,6-dihydro-2H-1,2,4-oxadiazine;5-cyclopentyl-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 157295707) has the molecular formula C37H51BrN10O4 and a molecular weight of 779.79 g/mol. Its IUPAC name is 3-(5-bromo-6-methoxy-2-pyridinyl)-5-cyclopentyl-5,6-dihydro-2H-1,2,4-oxadiazine;5-cyclopentyl-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-cyclopentyl-5,6-dihydro-2H-1,2,4-oxadiazine;5-cyclopentyl-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: 157295707
• Molecular Formula: C37H51BrN10O4
• Molecular Weight: 779.79 g/mol
• Exact Mass: 778.33
• IUPAC Name: 3-(5-bromo-6-methoxy-2-pyridinyl)-5-cyclopentyl-5,6-dihydro-2H-1,2,4-oxadiazine;5-cyclopentyl-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(C3CCCC3)CON2)ccc1-n1cnc(C)c1.COc1nc(C2=NC(C3CCCC3)CON2)ccc1Br.Cc1cnc[nH]1
• InChI: InChI=1S/C18H23N5O2.C14H18BrN3O2.C4H6N2.CH4/c1-12-9-23(11-19-12)16-8-7-14(21-18(16)24-2)17-20-15(10-25-22-17)13-5-3-4-6-13;1-19-14-10(15)6-7-11(17-14)13-16-12(8-20-18-13)9-4-2-3-5-9;1-4-2-5-3-6-4;/h7-9,11,13,15H,3-6,10H2,1-2H3,(H,20,22);6-7,9,12H,2-5,8H2,1H3,(H,16,18);2-3H,1H3,(H,5,6);1H4
• InChIKey: BBIAFAMUTSCMMY-UHFFFAOYSA-N
• XLogP: 6.47
• TPSA: 157.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	779.79
LogP ≤ 5	6.47
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-cyclopentyl-5,6-dihydro-2H-1,2,4-oxadiazine;5-cyclopentyl-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-cyclopentyl-5,6-dihydro-2H-1,2,4-oxadiazine;5-cyclopentyl-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;methane;5-methyl-1H-imidazole (CID 157295707) is 3-(5-bromo-6-methoxy-2-pyridinyl)-5-cyclopentyl-5,6-dihydro-2H-1,2,4-oxadiazine;5-cyclopentyl-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-cyclopentyl-5,6-dihydro-2H-1,2,4-oxadiazine;5-cyclopentyl-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-cyclopentyl-5,6-dihydro-2H-1,2,4-oxadiazine;5-cyclopentyl-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(C3CCCC3)CON2)ccc1-n1cnc(C)c1.COc1nc(C2=NC(C3CCCC3)CON2)ccc1Br.Cc1cnc[nH]1.

What is the InChIKey of 3-(5-bromo-6-methoxy-2-pyridinyl)-5-cyclopentyl-5,6-dihydro-2H-1,2,4-oxadiazine;5-cyclopentyl-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 BBIAFAMUTSCMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2.C14H18BrN3O2.C4H6N2.CH4/c1-12-9-23(11-19-12)16-8-7-14(21-18(16)24-2)17-20-15(10-25-22-17)13-5-3-4-6-13;1-19-14-10(15)6-7-11(17-14)13-16-12(8-20-18-13)9-4-2-3-5-9;1-4-2-5-3-6-4;/h7-9,11,13,15H,3-6,10H2,1-2H3,(H,20,22);6-7,9,12H,2-5,8H2,1H3,(H,16,18);2-3H,1H3,(H,5,6);1H4.

What are the key properties of 3-(5-bromo-6-methoxy-2-pyridinyl)-5-cyclopentyl-5,6-dihydro-2H-1,2,4-oxadiazine;5-cyclopentyl-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-cyclopentyl-5,6-dihydro-2H-1,2,4-oxadiazine;5-cyclopentyl-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 779.79 g/mol, XLogP of 6.47, 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-cyclopentyl-5,6-dihydro-2H-1,2,4-oxadiazine;5-cyclopentyl-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 157295707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).