4-[1-[(4-bromophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;but-1-ene;3,5-dimethyl-4-[2-methyl-1-[[4-(oxiran-2-ylmethyl)phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[2-methyl-1-[(4-prop-2-enylphenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole;methane

C68H73BrN12O4 — CID 158192338

About 4-[1-[(4-bromophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;but-1-ene;3,5-dimethyl-4-[2-methyl-1-[[4-(oxiran-2-ylmethyl)phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[2-methyl-1-[(4-prop-2-enylphenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole;methane

4-[1-[(4-bromophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;but-1-ene;3,5-dimethyl-4-[2-methyl-1-[[4-(oxiran-2-ylmethyl)phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[2-methyl-1-[(4-prop-2-enylphenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole;methane (PubChem CID 158192338) has the molecular formula C68H73BrN12O4 and a molecular weight of 1202.32 g/mol. Its IUPAC name is 4-[1-[(4-bromophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;but-1-ene;3,5-dimethyl-4-[2-methyl-1-[[4-(oxiran-2-ylmethyl)phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[2-methyl-1-[(4-prop-2-enylphenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole;methane.

Molecular Properties

• Compound Name: 4-[1-[(4-bromophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;but-1-ene;3,5-dimethyl-4-[2-methyl-1-[[4-(oxiran-2-ylmethyl)phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[2-methyl-1-[(4-prop-2-enylphenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole;methane
• PubChem CID: 158192338
• Molecular Formula: C68H73BrN12O4
• Molecular Weight: 1202.32 g/mol
• Exact Mass: 1200.51
• IUPAC Name: 4-[1-[(4-bromophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;but-1-ene;3,5-dimethyl-4-[2-methyl-1-[[4-(oxiran-2-ylmethyl)phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[2-methyl-1-[(4-prop-2-enylphenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole;methane
• SMILES: C.C=CCC.C=CCc1ccc(Cn2c(C)nc3ncc(-c4c(C)noc4C)cc32)cc1.Cc1noc(C)c1-c1cnc2nc(C)n(Cc3ccc(Br)cc3)c2c1.Cc1noc(C)c1-c1cnc2nc(C)n(Cc3ccc(CC4CO4)cc3)c2c1
• InChI: InChI=1S/C22H22N4O2.C22H22N4O.C19H17BrN4O.C4H8.CH4/c1-13-21(14(2)28-25-13)18-9-20-22(23-10-18)24-15(3)26(20)11-17-6-4-16(5-7-17)8-19-12-27-19;1-5-6-17-7-9-18(10-8-17)13-26-16(4)24-22-20(26)11-19(12-23-22)21-14(2)25-27-15(21)3;1-11-18(12(2)25-23-11)15-8-17-19(21-9-15)22-13(3)24(17)10-14-4-6-16(20)7-5-14;1-3-4-2;/h4-7,9-10,19H,8,11-12H2,1-3H3;5,7-12H,1,6,13H2,2-4H3;4-9H,10H2,1-3H3;3H,1,4H2,2H3;1H4
• InChIKey: FZXKVGROKLGFEF-UHFFFAOYSA-N
• XLogP: 15.83
• TPSA: 182.75 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1202.32
LogP ≤ 5	15.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-bromophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;but-1-ene;3,5-dimethyl-4-[2-methyl-1-[[4-(oxiran-2-ylmethyl)phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[2-methyl-1-[(4-prop-2-enylphenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole;methane?

The IUPAC name of 4-[1-[(4-bromophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;but-1-ene;3,5-dimethyl-4-[2-methyl-1-[[4-(oxiran-2-ylmethyl)phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[2-methyl-1-[(4-prop-2-enylphenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole;methane (CID 158192338) is 4-[1-[(4-bromophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;but-1-ene;3,5-dimethyl-4-[2-methyl-1-[[4-(oxiran-2-ylmethyl)phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[2-methyl-1-[(4-prop-2-enylphenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole;methane.

What is the SMILES notation for 4-[1-[(4-bromophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;but-1-ene;3,5-dimethyl-4-[2-methyl-1-[[4-(oxiran-2-ylmethyl)phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[2-methyl-1-[(4-prop-2-enylphenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole;methane?

The canonical SMILES for 4-[1-[(4-bromophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;but-1-ene;3,5-dimethyl-4-[2-methyl-1-[[4-(oxiran-2-ylmethyl)phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[2-methyl-1-[(4-prop-2-enylphenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole;methane is C.C=CCC.C=CCc1ccc(Cn2c(C)nc3ncc(-c4c(C)noc4C)cc32)cc1.Cc1noc(C)c1-c1cnc2nc(C)n(Cc3ccc(Br)cc3)c2c1.Cc1noc(C)c1-c1cnc2nc(C)n(Cc3ccc(CC4CO4)cc3)c2c1.

What is the InChIKey of 4-[1-[(4-bromophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;but-1-ene;3,5-dimethyl-4-[2-methyl-1-[[4-(oxiran-2-ylmethyl)phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[2-methyl-1-[(4-prop-2-enylphenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole;methane?

The InChIKey is FZXKVGROKLGFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2.C22H22N4O.C19H17BrN4O.C4H8.CH4/c1-13-21(14(2)28-25-13)18-9-20-22(23-10-18)24-15(3)26(20)11-17-6-4-16(5-7-17)8-19-12-27-19;1-5-6-17-7-9-18(10-8-17)13-26-16(4)24-22-20(26)11-19(12-23-22)21-14(2)25-27-15(21)3;1-11-18(12(2)25-23-11)15-8-17-19(21-9-15)22-13(3)24(17)10-14-4-6-16(20)7-5-14;1-3-4-2;/h4-7,9-10,19H,8,11-12H2,1-3H3;5,7-12H,1,6,13H2,2-4H3;4-9H,10H2,1-3H3;3H,1,4H2,2H3;1H4.

What are the key properties of 4-[1-[(4-bromophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;but-1-ene;3,5-dimethyl-4-[2-methyl-1-[[4-(oxiran-2-ylmethyl)phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[2-methyl-1-[(4-prop-2-enylphenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole;methane?

4-[1-[(4-bromophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;but-1-ene;3,5-dimethyl-4-[2-methyl-1-[[4-(oxiran-2-ylmethyl)phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[2-methyl-1-[(4-prop-2-enylphenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole;methane has a molecular weight of 1202.32 g/mol, XLogP of 15.83, 14 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[(4-bromophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;but-1-ene;3,5-dimethyl-4-[2-methyl-1-[[4-(oxiran-2-ylmethyl)phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[2-methyl-1-[(4-prop-2-enylphenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole;methane is sourced from PubChem (CID 158192338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).