7-chloro-2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;dichloronickel;2-fluoro-4-nitrophenol;7-(2-fluoro-4-nitrophenoxy)-2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridine;1-(2-fluorophenyl)-5-[3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]pentane-2,4-dione;4-(2-fluorophenyl)-3-oxobutanoic acid;3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-(2-methoxyphenyl)pentane-2,4-dione;4-iodo-1-propan-2-ylimidazole;4-(2-methoxyphenyl)-3-oxobutanoic acid;hydrate

C152H137Cl4F7IN21NiO22S6 — CID 159466409

About 7-chloro-2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;dichloronickel;2-fluoro-4-nitrophenol;7-(2-fluoro-4-nitrophenoxy)-2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridine;1-(2-fluorophenyl)-5-[3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]pentane-2,4-dione;4-(2-fluorophenyl)-3-oxobutanoic acid;3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-(2-methoxyphenyl)pentane-2,4-dione;4-iodo-1-propan-2-ylimidazole;4-(2-methoxyphenyl)-3-oxobutanoic acid;hydrate

7-chloro-2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;dichloronickel;2-fluoro-4-nitrophenol;7-(2-fluoro-4-nitrophenoxy)-2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridine;1-(2-fluorophenyl)-5-[3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]pentane-2,4-dione;4-(2-fluorophenyl)-3-oxobutanoic acid;3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-(2-methoxyphenyl)pentane-2,4-dione;4-iodo-1-propan-2-ylimidazole;4-(2-methoxyphenyl)-3-oxobutanoic acid;hydrate (PubChem CID 159466409) has the molecular formula C152H137Cl4F7IN21NiO22S6 and a molecular weight of 3262.69 g/mol. Its IUPAC name is 7-chloro-2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;dichloronickel;2-fluoro-4-nitrophenol;7-(2-fluoro-4-nitrophenoxy)-2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridine;1-(2-fluorophenyl)-5-[3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]pentane-2,4-dione;4-(2-fluorophenyl)-3-oxobutanoic acid;3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-(2-methoxyphenyl)pentane-2,4-dione;4-iodo-1-propan-2-ylimidazole;4-(2-methoxyphenyl)-3-oxobutanoic acid;hydrate.

Molecular Properties

• Compound Name: 7-chloro-2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;dichloronickel;2-fluoro-4-nitrophenol;7-(2-fluoro-4-nitrophenoxy)-2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridine;1-(2-fluorophenyl)-5-[3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]pentane-2,4-dione;4-(2-fluorophenyl)-3-oxobutanoic acid;3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-(2-methoxyphenyl)pentane-2,4-dione;4-iodo-1-propan-2-ylimidazole;4-(2-methoxyphenyl)-3-oxobutanoic acid;hydrate
• PubChem CID: 159466409
• Molecular Formula: C152H137Cl4F7IN21NiO22S6
• Molecular Weight: 3262.69 g/mol
• Exact Mass: 3257.56
• IUPAC Name: 7-chloro-2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;dichloronickel;2-fluoro-4-nitrophenol;7-(2-fluoro-4-nitrophenoxy)-2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridine;1-(2-fluorophenyl)-5-[3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]pentane-2,4-dione;4-(2-fluorophenyl)-3-oxobutanoic acid;3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-(2-methoxyphenyl)pentane-2,4-dione;4-iodo-1-propan-2-ylimidazole;4-(2-methoxyphenyl)-3-oxobutanoic acid;hydrate
• SMILES: CC(C)n1cnc(-c2cc3nccc(Cl)c3s2)c1.CC(C)n1cnc(-c2cc3nccc(Oc4ccc(CC(=O)CC(=O)Cc5ccccc5F)cc4F)c3s2)c1.CC(C)n1cnc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)c1.CC(C)n1cnc(-c2cc3nccc(Oc4ccc([N+](=O)[O-])cc4F)c3s2)c1.CC(C)n1cnc(I)c1.COc1ccccc1CC(=O)CC(=O)Cc1ccc(Oc2ccnc3cc(-c4cn(C(C)C)cn4)sc23)c(F)c1.COc1ccccc1CC(=O)CC(=O)O.Cl[Ni]Cl.Clc1ccnc2ccsc12.O.O=C(O)CC(=O)Cc1ccccc1F.O=[N+]([O-])c1ccc(O)c(F)c1
• InChI: InChI=1S/C31H28FN3O4S.C30H25F2N3O3S.C19H15FN4O3S.C19H17FN4OS.C13H12ClN3S.C11H12O4.C10H9FO3.C7H4ClNS.C6H4FNO3.C6H9IN2.2ClH.Ni.H2O/c1-19(2)35-17-26(34-18-35)30-16-25-31(40-30)29(10-11-33-25)39-28-9-8-20(13-24(28)32)12-22(36)15-23(37)14-21-6-4-5-7-27(21)38-3;1-18(2)35-16-26(34-17-35)29-15-25-30(39-29)28(9-10-33-25)38-27-8-7-19(12-24(27)32)11-21(36)14-22(37)13-20-5-3-4-6-23(20)31;1-11(2)23-9-15(22-10-23)18-8-14-19(28-18)17(5-6-21-14)27-16-4-3-12(24(25)26)7-13(16)20;1-11(2)24-9-15(23-10-24)18-8-14-19(26-18)17(5-6-22-14)25-16-4-3-12(21)7-13(16)20;1-8(2)17-6-11(16-7-17)12-5-10-13(18-12)9(14)3-4-15-10;1-15-10-5-3-2-4-8(10)6-9(12)7-11(13)14;11-9-4-2-1-3-7(9)5-8(12)6-10(13)14;8-5-1-3-9-6-2-4-10-7(5)6;7-5-3-4(8(10)11)1-2-6(5)9;1-5(2)9-3-6(7)8-4-9;;;;/h4-11,13,16-19H,12,14-15H2,1-3H3;3-10,12,15-18H,11,13-14H2,1-2H3;3-11H,1-2H3;3-11H,21H2,1-2H3;3-8H,1-2H3;2-5H,6-7H2,1H3,(H,13,14);1-4H,5-6H2,(H,13,14);1-4H;1-3,9H;3-5H,1-2H3;2*1H;;1H2/q;;;;;;;;;;;;+2;/p-2
• InChIKey: CGLOFPNQXZELDC-UHFFFAOYSA-L
• XLogP: 39.05
• TPSA: 580.69 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 44
• Rotatable Bonds: 43
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3262.69
LogP ≤ 5	39.05
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;dichloronickel;2-fluoro-4-nitrophenol;7-(2-fluoro-4-nitrophenoxy)-2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridine;1-(2-fluorophenyl)-5-[3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]pentane-2,4-dione;4-(2-fluorophenyl)-3-oxobutanoic acid;3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-(2-methoxyphenyl)pentane-2,4-dione;4-iodo-1-propan-2-ylimidazole;4-(2-methoxyphenyl)-3-oxobutanoic acid;hydrate?

The IUPAC name of 7-chloro-2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;dichloronickel;2-fluoro-4-nitrophenol;7-(2-fluoro-4-nitrophenoxy)-2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridine;1-(2-fluorophenyl)-5-[3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]pentane-2,4-dione;4-(2-fluorophenyl)-3-oxobutanoic acid;3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-(2-methoxyphenyl)pentane-2,4-dione;4-iodo-1-propan-2-ylimidazole;4-(2-methoxyphenyl)-3-oxobutanoic acid;hydrate (CID 159466409) is 7-chloro-2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;dichloronickel;2-fluoro-4-nitrophenol;7-(2-fluoro-4-nitrophenoxy)-2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridine;1-(2-fluorophenyl)-5-[3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]pentane-2,4-dione;4-(2-fluorophenyl)-3-oxobutanoic acid;3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-(2-methoxyphenyl)pentane-2,4-dione;4-iodo-1-propan-2-ylimidazole;4-(2-methoxyphenyl)-3-oxobutanoic acid;hydrate.

What is the SMILES notation for 7-chloro-2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;dichloronickel;2-fluoro-4-nitrophenol;7-(2-fluoro-4-nitrophenoxy)-2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridine;1-(2-fluorophenyl)-5-[3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]pentane-2,4-dione;4-(2-fluorophenyl)-3-oxobutanoic acid;3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-(2-methoxyphenyl)pentane-2,4-dione;4-iodo-1-propan-2-ylimidazole;4-(2-methoxyphenyl)-3-oxobutanoic acid;hydrate?

The canonical SMILES for 7-chloro-2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;dichloronickel;2-fluoro-4-nitrophenol;7-(2-fluoro-4-nitrophenoxy)-2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridine;1-(2-fluorophenyl)-5-[3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]pentane-2,4-dione;4-(2-fluorophenyl)-3-oxobutanoic acid;3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-(2-methoxyphenyl)pentane-2,4-dione;4-iodo-1-propan-2-ylimidazole;4-(2-methoxyphenyl)-3-oxobutanoic acid;hydrate is CC(C)n1cnc(-c2cc3nccc(Cl)c3s2)c1.CC(C)n1cnc(-c2cc3nccc(Oc4ccc(CC(=O)CC(=O)Cc5ccccc5F)cc4F)c3s2)c1.CC(C)n1cnc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)c1.CC(C)n1cnc(-c2cc3nccc(Oc4ccc([N+](=O)[O-])cc4F)c3s2)c1.CC(C)n1cnc(I)c1.COc1ccccc1CC(=O)CC(=O)Cc1ccc(Oc2ccnc3cc(-c4cn(C(C)C)cn4)sc23)c(F)c1.COc1ccccc1CC(=O)CC(=O)O.Cl[Ni]Cl.Clc1ccnc2ccsc12.O.O=C(O)CC(=O)Cc1ccccc1F.O=[N+]([O-])c1ccc(O)c(F)c1.

What is the InChIKey of 7-chloro-2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;dichloronickel;2-fluoro-4-nitrophenol;7-(2-fluoro-4-nitrophenoxy)-2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridine;1-(2-fluorophenyl)-5-[3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]pentane-2,4-dione;4-(2-fluorophenyl)-3-oxobutanoic acid;3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-(2-methoxyphenyl)pentane-2,4-dione;4-iodo-1-propan-2-ylimidazole;4-(2-methoxyphenyl)-3-oxobutanoic acid;hydrate?

The InChIKey is CGLOFPNQXZELDC-UHFFFAOYSA-L. The full InChI is InChI=1S/C31H28FN3O4S.C30H25F2N3O3S.C19H15FN4O3S.C19H17FN4OS.C13H12ClN3S.C11H12O4.C10H9FO3.C7H4ClNS.C6H4FNO3.C6H9IN2.2ClH.Ni.H2O/c1-19(2)35-17-26(34-18-35)30-16-25-31(40-30)29(10-11-33-25)39-28-9-8-20(13-24(28)32)12-22(36)15-23(37)14-21-6-4-5-7-27(21)38-3;1-18(2)35-16-26(34-17-35)29-15-25-30(39-29)28(9-10-33-25)38-27-8-7-19(12-24(27)32)11-21(36)14-22(37)13-20-5-3-4-6-23(20)31;1-11(2)23-9-15(22-10-23)18-8-14-19(28-18)17(5-6-21-14)27-16-4-3-12(24(25)26)7-13(16)20;1-11(2)24-9-15(23-10-24)18-8-14-19(26-18)17(5-6-22-14)25-16-4-3-12(21)7-13(16)20;1-8(2)17-6-11(16-7-17)12-5-10-13(18-12)9(14)3-4-15-10;1-15-10-5-3-2-4-8(10)6-9(12)7-11(13)14;11-9-4-2-1-3-7(9)5-8(12)6-10(13)14;8-5-1-3-9-6-2-4-10-7(5)6;7-5-3-4(8(10)11)1-2-6(5)9;1-5(2)9-3-6(7)8-4-9;;;;/h4-11,13,16-19H,12,14-15H2,1-3H3;3-10,12,15-18H,11,13-14H2,1-2H3;3-11H,1-2H3;3-11H,21H2,1-2H3;3-8H,1-2H3;2-5H,6-7H2,1H3,(H,13,14);1-4H,5-6H2,(H,13,14);1-4H;1-3,9H;3-5H,1-2H3;2*1H;;1H2/q;;;;;;;;;;;;+2;/p-2.

What are the key properties of 7-chloro-2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;dichloronickel;2-fluoro-4-nitrophenol;7-(2-fluoro-4-nitrophenoxy)-2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridine;1-(2-fluorophenyl)-5-[3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]pentane-2,4-dione;4-(2-fluorophenyl)-3-oxobutanoic acid;3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-(2-methoxyphenyl)pentane-2,4-dione;4-iodo-1-propan-2-ylimidazole;4-(2-methoxyphenyl)-3-oxobutanoic acid;hydrate?

7-chloro-2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;dichloronickel;2-fluoro-4-nitrophenol;7-(2-fluoro-4-nitrophenoxy)-2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridine;1-(2-fluorophenyl)-5-[3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]pentane-2,4-dione;4-(2-fluorophenyl)-3-oxobutanoic acid;3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-(2-methoxyphenyl)pentane-2,4-dione;4-iodo-1-propan-2-ylimidazole;4-(2-methoxyphenyl)-3-oxobutanoic acid;hydrate has a molecular weight of 3262.69 g/mol, XLogP of 39.05, 43 rotatable bonds, 4 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;dichloronickel;2-fluoro-4-nitrophenol;7-(2-fluoro-4-nitrophenoxy)-2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridine;1-(2-fluorophenyl)-5-[3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]pentane-2,4-dione;4-(2-fluorophenyl)-3-oxobutanoic acid;3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-(2-methoxyphenyl)pentane-2,4-dione;4-iodo-1-propan-2-ylimidazole;4-(2-methoxyphenyl)-3-oxobutanoic acid;hydrate is sourced from PubChem (CID 159466409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).