2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(2,3-dihydro-1-benzofuran-6-yl)acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methylphenyl)acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)propanamide

C65H59Cl4N15O8S4 — CID 159038340

About 2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(2,3-dihydro-1-benzofuran-6-yl)acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methylphenyl)acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)propanamide

2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(2,3-dihydro-1-benzofuran-6-yl)acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methylphenyl)acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)propanamide (PubChem CID 159038340) has the molecular formula C65H59Cl4N15O8S4 and a molecular weight of 1448.36 g/mol. Its IUPAC name is 2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(2,3-dihydro-1-benzofuran-6-yl)acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methylphenyl)acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)propanamide.

Molecular Properties

• Compound Name: 2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(2,3-dihydro-1-benzofuran-6-yl)acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methylphenyl)acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)propanamide
• PubChem CID: 159038340
• Molecular Formula: C65H59Cl4N15O8S4
• Molecular Weight: 1448.36 g/mol
• Exact Mass: 1445.23
• IUPAC Name: 2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(2,3-dihydro-1-benzofuran-6-yl)acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methylphenyl)acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)propanamide
• SMILES: COc1cc(NC(=O)C(C)SC2=Nc3cnc(Cl)cc3C2)ccc1C.COc1cc(NC(=O)CSc2nc3cc(Cl)ncc3[nH]2)ccc1C.Cc1ccc(NC(=O)CSc2nc3cc(Cl)ncc3[nH]2)cc1O.O=C(CSc1nc2cc(Cl)ncc2[nH]1)Nc1ccc2c(c1)OCC2
• InChI: InChI=1S/C18H18ClN3O2S.C16H13ClN4O2S.C16H15ClN4O2S.C15H13ClN4O2S/c1-10-4-5-13(8-15(10)24-3)21-18(23)11(2)25-17-7-12-6-16(19)20-9-14(12)22-17;17-14-6-11-12(7-18-14)21-16(20-11)24-8-15(22)19-10-2-1-9-3-4-23-13(9)5-10;1-9-3-4-10(5-13(9)23-2)19-15(22)8-24-16-20-11-6-14(17)18-7-12(11)21-16;1-8-2-3-9(4-12(8)21)18-14(22)7-23-15-19-10-5-13(16)17-6-11(10)20-15/h4-6,8-9,11H,7H2,1-3H3,(H,21,23);1-2,5-7H,3-4,8H2,(H,19,22)(H,20,21);3-7H,8H2,1-2H3,(H,19,22)(H,20,21);2-6,21H,7H2,1H3,(H,18,22)(H,19,20)
• InChIKey: JVSRNSUDYYINCG-UHFFFAOYSA-N
• XLogP: 14.69
• TPSA: 314.28 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 17
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1448.36
LogP ≤ 5	14.69
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(2,3-dihydro-1-benzofuran-6-yl)acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methylphenyl)acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)propanamide?

The IUPAC name of 2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(2,3-dihydro-1-benzofuran-6-yl)acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methylphenyl)acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)propanamide (CID 159038340) is 2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(2,3-dihydro-1-benzofuran-6-yl)acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methylphenyl)acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)propanamide.

What is the SMILES notation for 2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(2,3-dihydro-1-benzofuran-6-yl)acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methylphenyl)acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)propanamide?

The canonical SMILES for 2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(2,3-dihydro-1-benzofuran-6-yl)acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methylphenyl)acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)propanamide is COc1cc(NC(=O)C(C)SC2=Nc3cnc(Cl)cc3C2)ccc1C.COc1cc(NC(=O)CSc2nc3cc(Cl)ncc3[nH]2)ccc1C.Cc1ccc(NC(=O)CSc2nc3cc(Cl)ncc3[nH]2)cc1O.O=C(CSc1nc2cc(Cl)ncc2[nH]1)Nc1ccc2c(c1)OCC2.

What is the InChIKey of 2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(2,3-dihydro-1-benzofuran-6-yl)acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methylphenyl)acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)propanamide?

The InChIKey is JVSRNSUDYYINCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2S.C16H13ClN4O2S.C16H15ClN4O2S.C15H13ClN4O2S/c1-10-4-5-13(8-15(10)24-3)21-18(23)11(2)25-17-7-12-6-16(19)20-9-14(12)22-17;17-14-6-11-12(7-18-14)21-16(20-11)24-8-15(22)19-10-2-1-9-3-4-23-13(9)5-10;1-9-3-4-10(5-13(9)23-2)19-15(22)8-24-16-20-11-6-14(17)18-7-12(11)21-16;1-8-2-3-9(4-12(8)21)18-14(22)7-23-15-19-10-5-13(16)17-6-11(10)20-15/h4-6,8-9,11H,7H2,1-3H3,(H,21,23);1-2,5-7H,3-4,8H2,(H,19,22)(H,20,21);3-7H,8H2,1-2H3,(H,19,22)(H,20,21);2-6,21H,7H2,1H3,(H,18,22)(H,19,20).

What are the key properties of 2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(2,3-dihydro-1-benzofuran-6-yl)acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methylphenyl)acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)propanamide?

2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(2,3-dihydro-1-benzofuran-6-yl)acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methylphenyl)acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)propanamide has a molecular weight of 1448.36 g/mol, XLogP of 14.69, 17 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(2,3-dihydro-1-benzofuran-6-yl)acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methylphenyl)acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)propanamide is sourced from PubChem (CID 159038340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).