ethyl 5-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate

C21H23ClN4O6S — CID 55652041

About ethyl 5-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate

ethyl 5-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate (PubChem CID 55652041) has the molecular formula C21H23ClN4O6S and a molecular weight of 494.96 g/mol. Its IUPAC name is ethyl 5-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate.

Molecular Properties

• Compound Name: ethyl 5-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate
• PubChem CID: 55652041
• Molecular Formula: C21H23ClN4O6S
• Molecular Weight: 494.96 g/mol
• Exact Mass: 494.10
• IUPAC Name: ethyl 5-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate
• SMILES: CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cn4cc(Cl)ccc4n3)CC2)o1
• InChI: InChI=1S/C21H23ClN4O6S/c1-2-31-21(28)17-4-6-19(32-17)33(29,30)26-9-7-14(8-10-26)20(27)23-11-16-13-25-12-15(22)3-5-18(25)24-16/h3-6,12-14H,2,7-11H2,1H3,(H,23,27)
• InChIKey: MYALYHQJXOCZPL-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 123.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.96
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate?

The IUPAC name of ethyl 5-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate (CID 55652041) is ethyl 5-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate.

What is the SMILES notation for ethyl 5-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate?

The canonical SMILES for ethyl 5-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate is CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cn4cc(Cl)ccc4n3)CC2)o1.

What is the InChIKey of ethyl 5-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate?

The InChIKey is MYALYHQJXOCZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O6S/c1-2-31-21(28)17-4-6-19(32-17)33(29,30)26-9-7-14(8-10-26)20(27)23-11-16-13-25-12-15(22)3-5-18(25)24-16/h3-6,12-14H,2,7-11H2,1H3,(H,23,27).

What are the key properties of ethyl 5-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate?

ethyl 5-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate has a molecular weight of 494.96 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate is sourced from PubChem (CID 55652041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).