1'-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-ethoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one

C63H58ClN11O8 — CID 160751712

About 1'-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-ethoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one

1'-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-ethoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 160751712) has the molecular formula C63H58ClN11O8 and a molecular weight of 1132.68 g/mol. Its IUPAC name is 1'-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-ethoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

• Compound Name: 1'-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-ethoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
• PubChem CID: 160751712
• Molecular Formula: C63H58ClN11O8
• Molecular Weight: 1132.68 g/mol
• Exact Mass: 1131.42
• IUPAC Name: 1'-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-ethoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
• SMILES: CCOc1ccc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2c1.Cc1noc(C)c1-c1ccc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2c1.O=C1OC2(CCN(c3nc4nc(Cl)ccc4[nH]3)CC2)c2ccccc21
• InChI: InChI=1S/C24H22N4O3.C21H21N3O3.C18H15ClN4O2/c1-14-21(15(2)31-27-14)16-7-8-19-20(13-16)26-23(25-19)28-11-9-24(10-12-28)18-6-4-3-5-17(18)22(29)30-24;1-2-26-14-7-8-17-18(13-14)23-20(22-17)24-11-9-21(10-12-24)16-6-4-3-5-15(16)19(25)27-21;19-14-6-5-13-15(21-14)22-17(20-13)23-9-7-18(8-10-23)12-4-2-1-3-11(12)16(24)25-18/h3-8,13H,9-12H2,1-2H3,(H,25,26);3-8,13H,2,9-12H2,1H3,(H,22,23);1-6H,7-10H2,(H,20,21,22)
• InChIKey: RWXIIMQMMAGEDH-UHFFFAOYSA-N
• XLogP: 11.41
• TPSA: 222.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 6
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1132.68
LogP ≤ 5	11.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1'-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-ethoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?

The IUPAC name of 1'-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-ethoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one (CID 160751712) is 1'-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-ethoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one.

What is the SMILES notation for 1'-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-ethoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?

The canonical SMILES for 1'-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-ethoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one is CCOc1ccc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2c1.Cc1noc(C)c1-c1ccc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2c1.O=C1OC2(CCN(c3nc4nc(Cl)ccc4[nH]3)CC2)c2ccccc21.

What is the InChIKey of 1'-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-ethoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?

The InChIKey is RWXIIMQMMAGEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3.C21H21N3O3.C18H15ClN4O2/c1-14-21(15(2)31-27-14)16-7-8-19-20(13-16)26-23(25-19)28-11-9-24(10-12-28)18-6-4-3-5-17(18)22(29)30-24;1-2-26-14-7-8-17-18(13-14)23-20(22-17)24-11-9-21(10-12-24)16-6-4-3-5-15(16)19(25)27-21;19-14-6-5-13-15(21-14)22-17(20-13)23-9-7-18(8-10-23)12-4-2-1-3-11(12)16(24)25-18/h3-8,13H,9-12H2,1-2H3,(H,25,26);3-8,13H,2,9-12H2,1H3,(H,22,23);1-6H,7-10H2,(H,20,21,22).

What are the key properties of 1'-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-ethoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?

1'-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-ethoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 1132.68 g/mol, XLogP of 11.41, 6 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-ethoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 160751712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).