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-(4-methyl-3-nitrophenyl)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-methoxy-4-methylphenyl)-2-[(7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide

C128H114Cl4FN37O16S8 — CID 161379030

IUPACN-(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-(4-methyl-3-nitrophenyl)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-methoxy-4-methylphenyl)-2-[(7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide
SMILESCOc1cc(NC(=O)CSc2nc3c(C)cncc3[nH]2)ccc1C.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)cc1[N+](=O)[O-].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
InChIInChI=1S/C18H17N5O2S.C17H15N5O2S.C17H18N4O2S.C16H13ClFN3O3S.C16H13N5O2S.C15H12ClN5O3S.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;1-10-4-5-12(6-14(10)23-3)19-15(22)9-24-17-20-13-8-18-7-11(2)16(13)21-17;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(4-12(8)21(23)24)18-14(22)7-25-15-19-10-5-13(16)17-6-11(10)20-15;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);4-8H,9H2,1-3H3,(H,19,22)(H,20,21);2-4,6-7H,5,8H2,1H3,(H,20,22);3-7,22H,8H2,1H3,(H,19,23)(H,20,21);2-6H,7H2,1H3,(H,18,22)(H,19,20);2-6H,7,17H2,1H3,(H,19,22)(H,20,21);2-6H,7H2,1H3,(H,18,21)(H,19,20)
InChIKeyVRLXPXVXMMTWFN-UHFFFAOYSA-N
MW2843.91 g/mol
LogP26.65
Rot. Bonds34

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-(4-methyl-3-nitrophenyl)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-methoxy-4-methylphenyl)-2-[(7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]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-(4-methyl-3-nitrophenyl)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-methoxy-4-methylphenyl)-2-[(7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide (PubChem CID 161379030) has the molecular formula C128H114Cl4FN37O16S8 and a molecular weight of 2843.91 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-(4-methyl-3-nitrophenyl)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-methoxy-4-methylphenyl)-2-[(7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(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-(4-methyl-3-nitrophenyl)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-methoxy-4-methylphenyl)-2-[(7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide
PubChem CID161379030
Molecular FormulaC128H114Cl4FN37O16S8
Molecular Weight2843.91 g/mol
Exact Mass2839.57
IUPAC NameN-(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-(4-methyl-3-nitrophenyl)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-methoxy-4-methylphenyl)-2-[(7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide
SMILESCOc1cc(NC(=O)CSc2nc3c(C)cncc3[nH]2)ccc1C.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)cc1[N+](=O)[O-].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
InChIInChI=1S/C18H17N5O2S.C17H15N5O2S.C17H18N4O2S.C16H13ClFN3O3S.C16H13N5O2S.C15H12ClN5O3S.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;1-10-4-5-12(6-14(10)23-3)19-15(22)9-24-17-20-13-8-18-7-11(2)16(13)21-17;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(4-12(8)21(23)24)18-14(22)7-25-15-19-10-5-13(16)17-6-11(10)20-15;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);4-8H,9H2,1-3H3,(H,19,22)(H,20,21);2-4,6-7H,5,8H2,1H3,(H,20,22);3-7,22H,8H2,1H3,(H,19,23)(H,20,21);2-6H,7H2,1H3,(H,18,22)(H,19,20);2-6H,7,17H2,1H3,(H,19,22)(H,20,21);2-6H,7H2,1H3,(H,18,21)(H,19,20)
InChIKeyVRLXPXVXMMTWFN-UHFFFAOYSA-N
XLogP26.65
TPSA737.23 Ų
H-Bond Donors18
H-Bond Acceptors41
Rotatable Bonds34
Heavy Atoms194
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002843.91
LogP ≤ 526.65
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1041

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'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 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-(4-methyl-3-nitrophenyl)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-methoxy-4-methylphenyl)-2-[(7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide with MolForge

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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-(4-methyl-3-nitrophenyl)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-methoxy-4-methylphenyl)-2-[(7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]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-(4-methyl-3-nitrophenyl)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-methoxy-4-methylphenyl)-2-[(7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide (CID 161379030) 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-(4-methyl-3-nitrophenyl)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-methoxy-4-methylphenyl)-2-[(7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]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-(4-methyl-3-nitrophenyl)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-methoxy-4-methylphenyl)-2-[(7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]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-(4-methyl-3-nitrophenyl)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-methoxy-4-methylphenyl)-2-[(7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide is COc1cc(NC(=O)CSc2nc3c(C)cncc3[nH]2)ccc1C.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)cc1[N+](=O)[O-].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-(4-methyl-3-nitrophenyl)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-methoxy-4-methylphenyl)-2-[(7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide?
The InChIKey is VRLXPXVXMMTWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S.C17H15N5O2S.C17H18N4O2S.C16H13ClFN3O3S.C16H13N5O2S.C15H12ClN5O3S.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;1-10-4-5-12(6-14(10)23-3)19-15(22)9-24-17-20-13-8-18-7-11(2)16(13)21-17;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(4-12(8)21(23)24)18-14(22)7-25-15-19-10-5-13(16)17-6-11(10)20-15;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);4-8H,9H2,1-3H3,(H,19,22)(H,20,21);2-4,6-7H,5,8H2,1H3,(H,20,22);3-7,22H,8H2,1H3,(H,19,23)(H,20,21);2-6H,7H2,1H3,(H,18,22)(H,19,20);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-(4-methyl-3-nitrophenyl)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-methoxy-4-methylphenyl)-2-[(7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]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-(4-methyl-3-nitrophenyl)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-methoxy-4-methylphenyl)-2-[(7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide has a molecular weight of 2843.91 g/mol, XLogP of 26.65, 34 rotatable bonds, 18 hydrogen bond donors, and 41 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-(4-methyl-3-nitrophenyl)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-methoxy-4-methylphenyl)-2-[(7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 161379030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).