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

C112H101Cl6FN24O10S7 — CID 159382439

IUPACbis(2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide);2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(5-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]acetamide
SMILESCOc1cc(NC(=O)CSc2nc3cc(Cl)ncc3[nH]2)ccc1C.COc1cc(NC(=O)CSc2nc3cc(Cl)ncc3[nH]2)ccc1C.Cc1cc2c(cn1)N=C(SCC(=O)Nc1ccc(C)c(O)c1)C2.Cc1ccc(NC(=O)CSC2=Nc3cnc(Cl)cc3C2)cc1.Cc1ccc(NC(=O)CSC2=Nc3cnc(Cl)cc3C2)cc1F.Cc1ccc(NC(=O)CSc2nc3cc(Cl)ncc3[nH]2)cc1.Cc1cccc(NC(=O)CSC2=Nc3cnc(Cl)cc3C2)c1
InChIInChI=1S/C17H17N3O2S.C16H13ClFN3OS.2C16H15ClN4O2S.2C16H14ClN3OS.C15H13ClN4OS/c1-10-3-4-13(7-15(10)21)19-16(22)9-23-17-6-12-5-11(2)18-8-14(12)20-17;1-9-2-3-11(6-12(9)18)20-15(22)8-23-16-5-10-4-14(17)19-7-13(10)21-16;2*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;1-10-2-4-12(5-3-10)19-15(21)9-22-16-7-11-6-14(17)18-8-13(11)20-16;1-10-3-2-4-12(5-10)19-15(21)9-22-16-7-11-6-14(17)18-8-13(11)20-16;1-9-2-4-10(5-3-9)18-14(21)8-22-15-19-11-6-13(16)17-7-12(11)20-15/h3-5,7-8,21H,6,9H2,1-2H3,(H,19,22);2-4,6-7H,5,8H2,1H3,(H,20,22);2*3-7H,8H2,1-2H3,(H,19,22)(H,20,21);2*2-6,8H,7,9H2,1H3,(H,19,21);2-7H,8H2,1H3,(H,18,21)(H,19,20)
InChIKeyLLBXBRSGWUQSOM-UHFFFAOYSA-N
MW2399.38 g/mol
LogP26.47
Rot. Bonds26

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

bis(2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide);2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(5-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]acetamide (PubChem CID 159382439) has the molecular formula C112H101Cl6FN24O10S7 and a molecular weight of 2399.38 g/mol. Its IUPAC name is bis(2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide);2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(5-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound Namebis(2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide);2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(5-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]acetamide
PubChem CID159382439
Molecular FormulaC112H101Cl6FN24O10S7
Molecular Weight2399.38 g/mol
Exact Mass2394.43
IUPAC Namebis(2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide);2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(5-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]acetamide
SMILESCOc1cc(NC(=O)CSc2nc3cc(Cl)ncc3[nH]2)ccc1C.COc1cc(NC(=O)CSc2nc3cc(Cl)ncc3[nH]2)ccc1C.Cc1cc2c(cn1)N=C(SCC(=O)Nc1ccc(C)c(O)c1)C2.Cc1ccc(NC(=O)CSC2=Nc3cnc(Cl)cc3C2)cc1.Cc1ccc(NC(=O)CSC2=Nc3cnc(Cl)cc3C2)cc1F.Cc1ccc(NC(=O)CSc2nc3cc(Cl)ncc3[nH]2)cc1.Cc1cccc(NC(=O)CSC2=Nc3cnc(Cl)cc3C2)c1
InChIInChI=1S/C17H17N3O2S.C16H13ClFN3OS.2C16H15ClN4O2S.2C16H14ClN3OS.C15H13ClN4OS/c1-10-3-4-13(7-15(10)21)19-16(22)9-23-17-6-12-5-11(2)18-8-14(12)20-17;1-9-2-3-11(6-12(9)18)20-15(22)8-23-16-5-10-4-14(17)19-7-13(10)21-16;2*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;1-10-2-4-12(5-3-10)19-15(21)9-22-16-7-11-6-14(17)18-8-13(11)20-16;1-10-3-2-4-12(5-10)19-15(21)9-22-16-7-11-6-14(17)18-8-13(11)20-16;1-9-2-4-10(5-3-9)18-14(21)8-22-15-19-11-6-13(16)17-7-12(11)20-15/h3-5,7-8,21H,6,9H2,1-2H3,(H,19,22);2-4,6-7H,5,8H2,1H3,(H,20,22);2*3-7H,8H2,1-2H3,(H,19,22)(H,20,21);2*2-6,8H,7,9H2,1H3,(H,19,21);2-7H,8H2,1H3,(H,18,21)(H,19,20)
InChIKeyLLBXBRSGWUQSOM-UHFFFAOYSA-N
XLogP26.47
TPSA468.10 Ų
H-Bond Donors11
H-Bond Acceptors31
Rotatable Bonds26
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002399.38
LogP ≤ 526.47
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze bis(2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide);2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(5-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide);2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(5-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]acetamide?
The IUPAC name of bis(2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide);2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(5-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]acetamide (CID 159382439) is bis(2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide);2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(5-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for bis(2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide);2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(5-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]acetamide?
The canonical SMILES for bis(2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide);2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(5-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]acetamide is COc1cc(NC(=O)CSc2nc3cc(Cl)ncc3[nH]2)ccc1C.COc1cc(NC(=O)CSc2nc3cc(Cl)ncc3[nH]2)ccc1C.Cc1cc2c(cn1)N=C(SCC(=O)Nc1ccc(C)c(O)c1)C2.Cc1ccc(NC(=O)CSC2=Nc3cnc(Cl)cc3C2)cc1.Cc1ccc(NC(=O)CSC2=Nc3cnc(Cl)cc3C2)cc1F.Cc1ccc(NC(=O)CSc2nc3cc(Cl)ncc3[nH]2)cc1.Cc1cccc(NC(=O)CSC2=Nc3cnc(Cl)cc3C2)c1.
What is the InChIKey of bis(2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide);2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(5-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]acetamide?
The InChIKey is LLBXBRSGWUQSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S.C16H13ClFN3OS.2C16H15ClN4O2S.2C16H14ClN3OS.C15H13ClN4OS/c1-10-3-4-13(7-15(10)21)19-16(22)9-23-17-6-12-5-11(2)18-8-14(12)20-17;1-9-2-3-11(6-12(9)18)20-15(22)8-23-16-5-10-4-14(17)19-7-13(10)21-16;2*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;1-10-2-4-12(5-3-10)19-15(21)9-22-16-7-11-6-14(17)18-8-13(11)20-16;1-10-3-2-4-12(5-10)19-15(21)9-22-16-7-11-6-14(17)18-8-13(11)20-16;1-9-2-4-10(5-3-9)18-14(21)8-22-15-19-11-6-13(16)17-7-12(11)20-15/h3-5,7-8,21H,6,9H2,1-2H3,(H,19,22);2-4,6-7H,5,8H2,1H3,(H,20,22);2*3-7H,8H2,1-2H3,(H,19,22)(H,20,21);2*2-6,8H,7,9H2,1H3,(H,19,21);2-7H,8H2,1H3,(H,18,21)(H,19,20).
What are the key properties of bis(2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide);2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(5-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]acetamide?
bis(2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide);2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(5-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]acetamide has a molecular weight of 2399.38 g/mol, XLogP of 26.47, 26 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-methoxy-4-methylphenyl)acetamide);2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide;2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide;N-(3-hydroxy-4-methylphenyl)-2-[(5-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 159382439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).