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

C31H32FN7O4 — CID 138525755

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

5-tert-butyl-N-[[2-fluoro-4-[2-[4-[hydroxy(morpholin-4-yl)methyl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 138525755) has the molecular formula C31H32FN7O4 and a molecular weight of 585.64 g/mol. Its IUPAC name is 5-tert-butyl-N-[[2-fluoro-4-[2-[4-[hydroxy(morpholin-4-yl)methyl]phenyl]-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-[4-[hydroxy(morpholin-4-yl)methyl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
• PubChem CID: 138525755
• Molecular Formula: C31H32FN7O4
• Molecular Weight: 585.64 g/mol
• Exact Mass: 585.25
• IUPAC Name: 5-tert-butyl-N-[[2-fluoro-4-[2-[4-[hydroxy(morpholin-4-yl)methyl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
• SMILES: CC(C)(C)c1nc(C(=O)NCc2ccc(-c3ccnc4nc(-c5ccc(C(O)N6CCOCC6)cc5)[nH]c34)cc2F)no1
• InChI: InChI=1S/C31H32FN7O4/c1-31(2,3)30-37-27(38-43-30)28(40)34-17-21-9-8-20(16-23(21)32)22-10-11-33-26-24(22)35-25(36-26)18-4-6-19(7-5-18)29(41)39-12-14-42-15-13-39/h4-11,16,29,41H,12-15,17H2,1-3H3,(H,34,40)(H,33,35,36)
• InChIKey: IOPDUYBHGRBXDF-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 142.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	585.64
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[[2-fluoro-4-[2-[4-[hydroxy(morpholin-4-yl)methyl]phenyl]-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-[4-[hydroxy(morpholin-4-yl)methyl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 138525755) is 5-tert-butyl-N-[[2-fluoro-4-[2-[4-[hydroxy(morpholin-4-yl)methyl]phenyl]-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-[4-[hydroxy(morpholin-4-yl)methyl]phenyl]-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-[4-[hydroxy(morpholin-4-yl)methyl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide is CC(C)(C)c1nc(C(=O)NCc2ccc(-c3ccnc4nc(-c5ccc(C(O)N6CCOCC6)cc5)[nH]c34)cc2F)no1.

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

The InChIKey is IOPDUYBHGRBXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32FN7O4/c1-31(2,3)30-37-27(38-43-30)28(40)34-17-21-9-8-20(16-23(21)32)22-10-11-33-26-24(22)35-25(36-26)18-4-6-19(7-5-18)29(41)39-12-14-42-15-13-39/h4-11,16,29,41H,12-15,17H2,1-3H3,(H,34,40)(H,33,35,36).

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

5-tert-butyl-N-[[2-fluoro-4-[2-[4-[hydroxy(morpholin-4-yl)methyl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 585.64 g/mol, XLogP of 4.36, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-N-[[2-fluoro-4-[2-[4-[hydroxy(morpholin-4-yl)methyl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 138525755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).