N-(3-amino-4-methylphenyl)-2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(6-methyl-3-pyridinyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfonyl]-N-(3-fluoro-4-methylphenyl)acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(6-isocyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-isocyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide

C96H84Cl3FN28O11S6 — CID 158392533

About N-(3-amino-4-methylphenyl)-2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(6-methyl-3-pyridinyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfonyl]-N-(3-fluoro-4-methylphenyl)acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(6-isocyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-isocyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide

N-(3-amino-4-methylphenyl)-2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(6-methyl-3-pyridinyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfonyl]-N-(3-fluoro-4-methylphenyl)acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(6-isocyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-isocyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide (PubChem CID 158392533) has the molecular formula C96H84Cl3FN28O11S6 and a molecular weight of 2123.67 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(6-methyl-3-pyridinyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfonyl]-N-(3-fluoro-4-methylphenyl)acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(6-isocyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-isocyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide.

Molecular Properties

• Compound Name: N-(3-amino-4-methylphenyl)-2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(6-methyl-3-pyridinyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfonyl]-N-(3-fluoro-4-methylphenyl)acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(6-isocyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-isocyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide
• PubChem CID: 158392533
• Molecular Formula: C96H84Cl3FN28O11S6
• Molecular Weight: 2123.67 g/mol
• Exact Mass: 2120.42
• IUPAC Name: N-(3-amino-4-methylphenyl)-2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(6-methyl-3-pyridinyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfonyl]-N-(3-fluoro-4-methylphenyl)acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(6-isocyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-isocyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide
• SMILES: Cc1ccc(NC(=O)CS(=O)(=O)C2=Nc3cnc(Cl)cc3C2)cc1F.Cc1ccc(NC(=O)CSc2nc3cc(Cl)ncc3[nH]2)cc1N.Cc1ccc(NC(=O)CSc2nc3cc(Cl)ncc3[nH]2)cn1.[C-]#[N+]c1cc2nc(SCC(=O)Nc3ccc(C)c(O)c3)[nH]c2cn1.[C-]#[N+]c1ncc2[nH]c(SCC(=O)Nc3ccc(C)c(O)c3)nc2c1C.[C-]#[N+]c1ncc2[nH]c(SCC(=O)Nc3ccc(C)c(OC)c3)nc2c1C
• InChI: InChI=1S/C18H17N5O2S.C17H15N5O2S.C16H13ClFN3O3S.C16H13N5O2S.C15H14ClN5OS.C14H12ClN5OS/c1-10-5-6-12(7-14(10)25-4)21-15(24)9-26-18-22-13-8-20-17(19-3)11(2)16(13)23-18;1-9-4-5-11(6-13(9)23)20-14(24)8-25-17-21-12-7-19-16(18-3)10(2)15(12)22-17;1-9-2-3-11(6-12(9)18)20-15(22)8-25(23,24)16-5-10-4-14(17)19-7-13(10)21-16;1-9-3-4-10(5-13(9)22)19-15(23)8-24-16-20-11-6-14(17-2)18-7-12(11)21-16;1-8-2-3-9(4-10(8)17)19-14(22)7-23-15-20-11-5-13(16)18-6-12(11)21-15;1-8-2-3-9(5-16-8)18-13(21)7-22-14-19-10-4-12(15)17-6-11(10)20-14/h5-8H,9H2,1-2,4H3,(H,21,24)(H,22,23);4-7,23H,8H2,1-2H3,(H,20,24)(H,21,22);2-4,6-7H,5,8H2,1H3,(H,20,22);3-7,22H,8H2,1H3,(H,19,23)(H,20,21);2-6H,7,17H2,1H3,(H,19,22)(H,20,21);2-6H,7H2,1H3,(H,18,21)(H,19,20)
• InChIKey: GXDHZBLQAXPFMV-UHFFFAOYSA-N
• XLogP: 19.78
• TPSA: 543.52 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 30
• Rotatable Bonds: 24
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2123.67
LogP ≤ 5	19.78
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(6-methyl-3-pyridinyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfonyl]-N-(3-fluoro-4-methylphenyl)acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(6-isocyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-isocyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide?

The IUPAC name of N-(3-amino-4-methylphenyl)-2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(6-methyl-3-pyridinyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfonyl]-N-(3-fluoro-4-methylphenyl)acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(6-isocyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-isocyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide (CID 158392533) is N-(3-amino-4-methylphenyl)-2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(6-methyl-3-pyridinyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfonyl]-N-(3-fluoro-4-methylphenyl)acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(6-isocyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-isocyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide.

What is the SMILES notation for N-(3-amino-4-methylphenyl)-2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(6-methyl-3-pyridinyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfonyl]-N-(3-fluoro-4-methylphenyl)acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(6-isocyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-isocyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide?

The canonical SMILES for N-(3-amino-4-methylphenyl)-2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(6-methyl-3-pyridinyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfonyl]-N-(3-fluoro-4-methylphenyl)acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(6-isocyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-isocyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CS(=O)(=O)C2=Nc3cnc(Cl)cc3C2)cc1F.Cc1ccc(NC(=O)CSc2nc3cc(Cl)ncc3[nH]2)cc1N.Cc1ccc(NC(=O)CSc2nc3cc(Cl)ncc3[nH]2)cn1.[C-]#[N+]c1cc2nc(SCC(=O)Nc3ccc(C)c(O)c3)[nH]c2cn1.[C-]#[N+]c1ncc2[nH]c(SCC(=O)Nc3ccc(C)c(O)c3)nc2c1C.[C-]#[N+]c1ncc2[nH]c(SCC(=O)Nc3ccc(C)c(OC)c3)nc2c1C.

What is the InChIKey of N-(3-amino-4-methylphenyl)-2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(6-methyl-3-pyridinyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfonyl]-N-(3-fluoro-4-methylphenyl)acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(6-isocyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-isocyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide?

The InChIKey is GXDHZBLQAXPFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S.C17H15N5O2S.C16H13ClFN3O3S.C16H13N5O2S.C15H14ClN5OS.C14H12ClN5OS/c1-10-5-6-12(7-14(10)25-4)21-15(24)9-26-18-22-13-8-20-17(19-3)11(2)16(13)23-18;1-9-4-5-11(6-13(9)23)20-14(24)8-25-17-21-12-7-19-16(18-3)10(2)15(12)22-17;1-9-2-3-11(6-12(9)18)20-15(22)8-25(23,24)16-5-10-4-14(17)19-7-13(10)21-16;1-9-3-4-10(5-13(9)22)19-15(23)8-24-16-20-11-6-14(17-2)18-7-12(11)21-16;1-8-2-3-9(4-10(8)17)19-14(22)7-23-15-20-11-5-13(16)18-6-12(11)21-15;1-8-2-3-9(5-16-8)18-13(21)7-22-14-19-10-4-12(15)17-6-11(10)20-14/h5-8H,9H2,1-2,4H3,(H,21,24)(H,22,23);4-7,23H,8H2,1-2H3,(H,20,24)(H,21,22);2-4,6-7H,5,8H2,1H3,(H,20,22);3-7,22H,8H2,1H3,(H,19,23)(H,20,21);2-6H,7,17H2,1H3,(H,19,22)(H,20,21);2-6H,7H2,1H3,(H,18,21)(H,19,20).

What are the key properties of N-(3-amino-4-methylphenyl)-2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(6-methyl-3-pyridinyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfonyl]-N-(3-fluoro-4-methylphenyl)acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(6-isocyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-isocyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide?

N-(3-amino-4-methylphenyl)-2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(6-methyl-3-pyridinyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfonyl]-N-(3-fluoro-4-methylphenyl)acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(6-isocyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-isocyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide has a molecular weight of 2123.67 g/mol, XLogP of 19.78, 24 rotatable bonds, 14 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-amino-4-methylphenyl)-2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(6-methyl-3-pyridinyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfonyl]-N-(3-fluoro-4-methylphenyl)acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(6-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(6-isocyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide;2-[(6-isocyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide is sourced from PubChem (CID 158392533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).