4-(1-benzyl-2-ethoxyimidazo[4,5-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

C38H39N9O4 — CID 158935490

About 4-(1-benzyl-2-ethoxyimidazo[4,5-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

4-(1-benzyl-2-ethoxyimidazo[4,5-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 158935490) has the molecular formula C38H39N9O4 and a molecular weight of 685.79 g/mol. Its IUPAC name is 4-(1-benzyl-2-ethoxyimidazo[4,5-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

• Compound Name: 4-(1-benzyl-2-ethoxyimidazo[4,5-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
• PubChem CID: 158935490
• Molecular Formula: C38H39N9O4
• Molecular Weight: 685.79 g/mol
• Exact Mass: 685.31
• IUPAC Name: 4-(1-benzyl-2-ethoxyimidazo[4,5-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
• SMILES: CCOc1nc2ncc(-c3c(C)noc3C)cc2n1Cc1ccccc1.Cc1noc(C)c1Cn1c(C)nc2ncc(-c3c(C)noc3C)cc21
• InChI: InChI=1S/C20H20N4O2.C18H19N5O2/c1-4-25-20-22-19-17(24(20)12-15-8-6-5-7-9-15)10-16(11-21-19)18-13(2)23-26-14(18)3;1-9-15(11(3)24-21-9)8-23-13(5)20-18-16(23)6-14(7-19-18)17-10(2)22-25-12(17)4/h5-11H,4,12H2,1-3H3;6-7H,8H2,1-5H3
• InChIKey: JJPARQXQKXFMNV-UHFFFAOYSA-N
• XLogP: 7.81
• TPSA: 148.74 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	685.79
LogP ≤ 5	7.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzyl-2-ethoxyimidazo[4,5-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?

The IUPAC name of 4-(1-benzyl-2-ethoxyimidazo[4,5-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (CID 158935490) is 4-(1-benzyl-2-ethoxyimidazo[4,5-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.

What is the SMILES notation for 4-(1-benzyl-2-ethoxyimidazo[4,5-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?

The canonical SMILES for 4-(1-benzyl-2-ethoxyimidazo[4,5-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is CCOc1nc2ncc(-c3c(C)noc3C)cc2n1Cc1ccccc1.Cc1noc(C)c1Cn1c(C)nc2ncc(-c3c(C)noc3C)cc21.

What is the InChIKey of 4-(1-benzyl-2-ethoxyimidazo[4,5-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?

The InChIKey is JJPARQXQKXFMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2.C18H19N5O2/c1-4-25-20-22-19-17(24(20)12-15-8-6-5-7-9-15)10-16(11-21-19)18-13(2)23-26-14(18)3;1-9-15(11(3)24-21-9)8-23-13(5)20-18-16(23)6-14(7-19-18)17-10(2)22-25-12(17)4/h5-11H,4,12H2,1-3H3;6-7H,8H2,1-5H3.

What are the key properties of 4-(1-benzyl-2-ethoxyimidazo[4,5-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?

4-(1-benzyl-2-ethoxyimidazo[4,5-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 685.79 g/mol, XLogP of 7.81, 8 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1-benzyl-2-ethoxyimidazo[4,5-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 158935490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).