5-tert-butyl-N-[[2-fluoro-4-[2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-5-methylphenyl]methyl]-1,2,4-oxadiazole-3-carboxamide

C28H27FN6O3 — CID 121249746

About 5-tert-butyl-N-[[2-fluoro-4-[2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-5-methylphenyl]methyl]-1,2,4-oxadiazole-3-carboxamide

5-tert-butyl-N-[[2-fluoro-4-[2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-5-methylphenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 121249746) has the molecular formula C28H27FN6O3 and a molecular weight of 514.56 g/mol. Its IUPAC name is 5-tert-butyl-N-[[2-fluoro-4-[2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-5-methylphenyl]methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-tert-butyl-N-[[2-fluoro-4-[2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-5-methylphenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
• PubChem CID: 121249746
• Molecular Formula: C28H27FN6O3
• Molecular Weight: 514.56 g/mol
• Exact Mass: 514.21
• IUPAC Name: 5-tert-butyl-N-[[2-fluoro-4-[2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-5-methylphenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
• SMILES: COc1cccc(-c2nc3nccc(-c4cc(F)c(CNC(=O)c5noc(C(C)(C)C)n5)cc4C)c3[nH]2)c1
• InChI: InChI=1S/C28H27FN6O3/c1-15-11-17(14-31-26(36)25-34-27(38-35-25)28(2,3)4)21(29)13-20(15)19-9-10-30-24-22(19)32-23(33-24)16-7-6-8-18(12-16)37-5/h6-13H,14H2,1-5H3,(H,31,36)(H,30,32,33)
• InChIKey: GNZLKSJYPQVZQR-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 118.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.56
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[[2-fluoro-4-[2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-5-methylphenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?

The IUPAC name of 5-tert-butyl-N-[[2-fluoro-4-[2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-5-methylphenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 121249746) is 5-tert-butyl-N-[[2-fluoro-4-[2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-5-methylphenyl]methyl]-1,2,4-oxadiazole-3-carboxamide.

What is the SMILES notation for 5-tert-butyl-N-[[2-fluoro-4-[2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-5-methylphenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?

The canonical SMILES for 5-tert-butyl-N-[[2-fluoro-4-[2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-5-methylphenyl]methyl]-1,2,4-oxadiazole-3-carboxamide is COc1cccc(-c2nc3nccc(-c4cc(F)c(CNC(=O)c5noc(C(C)(C)C)n5)cc4C)c3[nH]2)c1.

What is the InChIKey of 5-tert-butyl-N-[[2-fluoro-4-[2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-5-methylphenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?

The InChIKey is GNZLKSJYPQVZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN6O3/c1-15-11-17(14-31-26(36)25-34-27(38-35-25)28(2,3)4)21(29)13-20(15)19-9-10-30-24-22(19)32-23(33-24)16-7-6-8-18(12-16)37-5/h6-13H,14H2,1-5H3,(H,31,36)(H,30,32,33).

What are the key properties of 5-tert-butyl-N-[[2-fluoro-4-[2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-5-methylphenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?

5-tert-butyl-N-[[2-fluoro-4-[2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-5-methylphenyl]methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 514.56 g/mol, XLogP of 5.36, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-N-[[2-fluoro-4-[2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-5-methylphenyl]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 121249746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).