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

C34H35FN8O4 — CID 171803785

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

3-tert-butyl-N-[[2-fluoro-4-[2-[3-[[(E)-4-morpholin-4-ylbut-2-enoyl]amino]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 171803785) has the molecular formula C34H35FN8O4 and a molecular weight of 638.70 g/mol. Its IUPAC name is 3-tert-butyl-N-[[2-fluoro-4-[2-[3-[[(E)-4-morpholin-4-ylbut-2-enoyl]amino]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-tert-butyl-N-[[2-fluoro-4-[2-[3-[[(E)-4-morpholin-4-ylbut-2-enoyl]amino]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
• PubChem CID: 171803785
• Molecular Formula: C34H35FN8O4
• Molecular Weight: 638.70 g/mol
• Exact Mass: 638.28
• IUPAC Name: 3-tert-butyl-N-[[2-fluoro-4-[2-[3-[[(E)-4-morpholin-4-ylbut-2-enoyl]amino]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
• SMILES: CC(C)(C)c1noc(C(=O)NCc2ccc(-c3ccnc4nc(-c5cccc(NC(=O)/C=C/CN6CCOCC6)c5)[nH]c34)cc2F)n1
• InChI: InChI=1S/C34H35FN8O4/c1-34(2,3)33-41-32(47-42-33)31(45)37-20-23-10-9-21(19-26(23)35)25-11-12-36-30-28(25)39-29(40-30)22-6-4-7-24(18-22)38-27(44)8-5-13-43-14-16-46-17-15-43/h4-12,18-19H,13-17,20H2,1-3H3,(H,37,45)(H,38,44)(H,36,39,40)/b8-5+
• InChIKey: UQBDYJQYAHVYJD-VMPITWQZSA-N
• XLogP: 4.87
• TPSA: 151.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	638.70
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[[2-fluoro-4-[2-[3-[[(E)-4-morpholin-4-ylbut-2-enoyl]amino]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide?

The IUPAC name of 3-tert-butyl-N-[[2-fluoro-4-[2-[3-[[(E)-4-morpholin-4-ylbut-2-enoyl]amino]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide (CID 171803785) is 3-tert-butyl-N-[[2-fluoro-4-[2-[3-[[(E)-4-morpholin-4-ylbut-2-enoyl]amino]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide.

What is the SMILES notation for 3-tert-butyl-N-[[2-fluoro-4-[2-[3-[[(E)-4-morpholin-4-ylbut-2-enoyl]amino]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide?

The canonical SMILES for 3-tert-butyl-N-[[2-fluoro-4-[2-[3-[[(E)-4-morpholin-4-ylbut-2-enoyl]amino]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide is CC(C)(C)c1noc(C(=O)NCc2ccc(-c3ccnc4nc(-c5cccc(NC(=O)/C=C/CN6CCOCC6)c5)[nH]c34)cc2F)n1.

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

The InChIKey is UQBDYJQYAHVYJD-VMPITWQZSA-N. The full InChI is InChI=1S/C34H35FN8O4/c1-34(2,3)33-41-32(47-42-33)31(45)37-20-23-10-9-21(19-26(23)35)25-11-12-36-30-28(25)39-29(40-30)22-6-4-7-24(18-22)38-27(44)8-5-13-43-14-16-46-17-15-43/h4-12,18-19H,13-17,20H2,1-3H3,(H,37,45)(H,38,44)(H,36,39,40)/b8-5+.

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

3-tert-butyl-N-[[2-fluoro-4-[2-[3-[[(E)-4-morpholin-4-ylbut-2-enoyl]amino]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 638.70 g/mol, XLogP of 4.87, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-N-[[2-fluoro-4-[2-[3-[[(E)-4-morpholin-4-ylbut-2-enoyl]amino]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 171803785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).