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

C27H25FN6O3 — CID 121249753

About 5-tert-butyl-N-[[2-fluoro-4-[2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]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]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 121249753) has the molecular formula C27H25FN6O3 and a molecular weight of 500.53 g/mol. Its IUPAC name is 5-tert-butyl-N-[[2-fluoro-4-[2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]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]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
• PubChem CID: 121249753
• Molecular Formula: C27H25FN6O3
• Molecular Weight: 500.53 g/mol
• Exact Mass: 500.20
• IUPAC Name: 5-tert-butyl-N-[[2-fluoro-4-[2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
• SMILES: COc1cccc(-c2nc3nccc(-c4ccc(CNC(=O)c5noc(C(C)(C)C)n5)c(F)c4)c3[nH]2)c1
• InChI: InChI=1S/C27H25FN6O3/c1-27(2,3)26-33-24(34-37-26)25(35)30-14-17-9-8-15(13-20(17)28)19-10-11-29-23-21(19)31-22(32-23)16-6-5-7-18(12-16)36-4/h5-13H,14H2,1-4H3,(H,30,35)(H,29,31,32)
• InChIKey: MOZZAYHNCHFQPC-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 118.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.53
LogP ≤ 5	5.05
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]phenyl]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]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 121249753) is 5-tert-butyl-N-[[2-fluoro-4-[2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]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]phenyl]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]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide is COc1cccc(-c2nc3nccc(-c4ccc(CNC(=O)c5noc(C(C)(C)C)n5)c(F)c4)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]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?

The InChIKey is MOZZAYHNCHFQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN6O3/c1-27(2,3)26-33-24(34-37-26)25(35)30-14-17-9-8-15(13-20(17)28)19-10-11-29-23-21(19)31-22(32-23)16-6-5-7-18(12-16)36-4/h5-13H,14H2,1-4H3,(H,30,35)(H,29,31,32).

What are the key properties of 5-tert-butyl-N-[[2-fluoro-4-[2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]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]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 500.53 g/mol, XLogP of 5.05, 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]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 121249753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).