2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]-N-(oxan-4-yl)acetamide

C27H30FN5O4 — CID 122640708

About 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]-N-(oxan-4-yl)acetamide

2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]-N-(oxan-4-yl)acetamide (PubChem CID 122640708) has the molecular formula C27H30FN5O4 and a molecular weight of 507.57 g/mol. Its IUPAC name is 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]-N-(oxan-4-yl)acetamide.

Molecular Properties

• Compound Name: 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]-N-(oxan-4-yl)acetamide
• PubChem CID: 122640708
• Molecular Formula: C27H30FN5O4
• Molecular Weight: 507.57 g/mol
• Exact Mass: 507.23
• IUPAC Name: 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]-N-(oxan-4-yl)acetamide
• SMILES: COc1ccc(CCc2nc3cc(-c4c(C)noc4C)cnc3n2CC(=O)NC2CCOCC2)cc1F
• InChI: InChI=1S/C27H30FN5O4/c1-16-26(17(2)37-32-16)19-13-22-27(29-14-19)33(15-25(34)30-20-8-10-36-11-9-20)24(31-22)7-5-18-4-6-23(35-3)21(28)12-18/h4,6,12-14,20H,5,7-11,15H2,1-3H3,(H,30,34)
• InChIKey: YXYXFKKDRRIOFL-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 104.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.57
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]-N-(oxan-4-yl)acetamide?

The IUPAC name of 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]-N-(oxan-4-yl)acetamide (CID 122640708) is 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]-N-(oxan-4-yl)acetamide.

What is the SMILES notation for 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]-N-(oxan-4-yl)acetamide?

The canonical SMILES for 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]-N-(oxan-4-yl)acetamide is COc1ccc(CCc2nc3cc(-c4c(C)noc4C)cnc3n2CC(=O)NC2CCOCC2)cc1F.

What is the InChIKey of 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]-N-(oxan-4-yl)acetamide?

The InChIKey is YXYXFKKDRRIOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN5O4/c1-16-26(17(2)37-32-16)19-13-22-27(29-14-19)33(15-25(34)30-20-8-10-36-11-9-20)24(31-22)7-5-18-4-6-23(35-3)21(28)12-18/h4,6,12-14,20H,5,7-11,15H2,1-3H3,(H,30,34).

What are the key properties of 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]-N-(oxan-4-yl)acetamide?

2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]-N-(oxan-4-yl)acetamide has a molecular weight of 507.57 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 122640708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).