tert-butyl 3-[3-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]sulfonylpyrrolidine-1-carboxylate

C29H33N7O6S — CID 71280695

About tert-butyl 3-[3-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]sulfonylpyrrolidine-1-carboxylate

tert-butyl 3-[3-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]sulfonylpyrrolidine-1-carboxylate (PubChem CID 71280695) has the molecular formula C29H33N7O6S and a molecular weight of 607.69 g/mol. Its IUPAC name is tert-butyl 3-[3-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]sulfonylpyrrolidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 3-[3-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]sulfonylpyrrolidine-1-carboxylate
• PubChem CID: 71280695
• Molecular Formula: C29H33N7O6S
• Molecular Weight: 607.69 g/mol
• Exact Mass: 607.22
• IUPAC Name: tert-butyl 3-[3-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]sulfonylpyrrolidine-1-carboxylate
• SMILES: Cc1ccc(-c2noc(C3CN(S(=O)(=O)C4CCN(C(=O)OC(C)(C)C)C4)C3)n2)cc1NC(=O)c1cnc2ccccn12
• InChI: InChI=1S/C29H33N7O6S/c1-18-8-9-19(13-22(18)31-26(37)23-14-30-24-7-5-6-11-36(23)24)25-32-27(42-33-25)20-15-35(16-20)43(39,40)21-10-12-34(17-21)28(38)41-29(2,3)4/h5-9,11,13-14,20-21H,10,12,15-17H2,1-4H3,(H,31,37)
• InChIKey: HERYHZUWMVIXMO-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 152.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	607.69
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[3-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]sulfonylpyrrolidine-1-carboxylate?

The IUPAC name of tert-butyl 3-[3-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]sulfonylpyrrolidine-1-carboxylate (CID 71280695) is tert-butyl 3-[3-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]sulfonylpyrrolidine-1-carboxylate.

What is the SMILES notation for tert-butyl 3-[3-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]sulfonylpyrrolidine-1-carboxylate?

The canonical SMILES for tert-butyl 3-[3-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]sulfonylpyrrolidine-1-carboxylate is Cc1ccc(-c2noc(C3CN(S(=O)(=O)C4CCN(C(=O)OC(C)(C)C)C4)C3)n2)cc1NC(=O)c1cnc2ccccn12.

What is the InChIKey of tert-butyl 3-[3-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]sulfonylpyrrolidine-1-carboxylate?

The InChIKey is HERYHZUWMVIXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N7O6S/c1-18-8-9-19(13-22(18)31-26(37)23-14-30-24-7-5-6-11-36(23)24)25-32-27(42-33-25)20-15-35(16-20)43(39,40)21-10-12-34(17-21)28(38)41-29(2,3)4/h5-9,11,13-14,20-21H,10,12,15-17H2,1-4H3,(H,31,37).

What are the key properties of tert-butyl 3-[3-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]sulfonylpyrrolidine-1-carboxylate?

tert-butyl 3-[3-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]sulfonylpyrrolidine-1-carboxylate has a molecular weight of 607.69 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[3-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]sulfonylpyrrolidine-1-carboxylate is sourced from PubChem (CID 71280695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).