7-chloro-2-(1-ethyl-5-methylimidazol-4-yl)thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;1-ethyl-4-iodo-5-methylimidazole;2-(1-ethyl-5-methylimidazol-4-yl)-7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine;4-[2-(1-ethyl-5-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;N-[[4-[2-(1-ethyl-5-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]carbamothioyl]-2-(2-methoxyphenyl)acetamide;2-fluoro-4-nitrophenol;2-(2-methoxyphenyl)acetyl isothiocyanate;oxolane

C113H104Cl2F4IN21O13S7 — CID 159688570

About 7-chloro-2-(1-ethyl-5-methylimidazol-4-yl)thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;1-ethyl-4-iodo-5-methylimidazole;2-(1-ethyl-5-methylimidazol-4-yl)-7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine;4-[2-(1-ethyl-5-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;N-[[4-[2-(1-ethyl-5-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]carbamothioyl]-2-(2-methoxyphenyl)acetamide;2-fluoro-4-nitrophenol;2-(2-methoxyphenyl)acetyl isothiocyanate;oxolane

7-chloro-2-(1-ethyl-5-methylimidazol-4-yl)thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;1-ethyl-4-iodo-5-methylimidazole;2-(1-ethyl-5-methylimidazol-4-yl)-7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine;4-[2-(1-ethyl-5-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;N-[[4-[2-(1-ethyl-5-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]carbamothioyl]-2-(2-methoxyphenyl)acetamide;2-fluoro-4-nitrophenol;2-(2-methoxyphenyl)acetyl isothiocyanate;oxolane (PubChem CID 159688570) has the molecular formula C113H104Cl2F4IN21O13S7 and a molecular weight of 2462.48 g/mol. Its IUPAC name is 7-chloro-2-(1-ethyl-5-methylimidazol-4-yl)thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;1-ethyl-4-iodo-5-methylimidazole;2-(1-ethyl-5-methylimidazol-4-yl)-7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine;4-[2-(1-ethyl-5-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;N-[[4-[2-(1-ethyl-5-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]carbamothioyl]-2-(2-methoxyphenyl)acetamide;2-fluoro-4-nitrophenol;2-(2-methoxyphenyl)acetyl isothiocyanate;oxolane.

Molecular Properties

• Compound Name: 7-chloro-2-(1-ethyl-5-methylimidazol-4-yl)thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;1-ethyl-4-iodo-5-methylimidazole;2-(1-ethyl-5-methylimidazol-4-yl)-7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine;4-[2-(1-ethyl-5-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;N-[[4-[2-(1-ethyl-5-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]carbamothioyl]-2-(2-methoxyphenyl)acetamide;2-fluoro-4-nitrophenol;2-(2-methoxyphenyl)acetyl isothiocyanate;oxolane
• PubChem CID: 159688570
• Molecular Formula: C113H104Cl2F4IN21O13S7
• Molecular Weight: 2462.48 g/mol
• Exact Mass: 2459.45
• IUPAC Name: 7-chloro-2-(1-ethyl-5-methylimidazol-4-yl)thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;1-ethyl-4-iodo-5-methylimidazole;2-(1-ethyl-5-methylimidazol-4-yl)-7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine;4-[2-(1-ethyl-5-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;N-[[4-[2-(1-ethyl-5-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]carbamothioyl]-2-(2-methoxyphenyl)acetamide;2-fluoro-4-nitrophenol;2-(2-methoxyphenyl)acetyl isothiocyanate;oxolane
• SMILES: C1CCOC1.CCn1cnc(-c2cc3nccc(Cl)c3s2)c1C.CCn1cnc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)c1C.CCn1cnc(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5OC)cc4F)c3s2)c1C.CCn1cnc(-c2cc3nccc(Oc4ccc([N+](=O)[O-])cc4F)c3s2)c1C.CCn1cnc(I)c1C.COc1ccccc1CC(=O)N=C=S.Clc1ccnc2ccsc12.O=[N+]([O-])c1ccc(O)c(F)c1
• InChI: InChI=1S/C29H26FN5O3S2.C19H15FN4O3S.C19H17FN4OS.C13H12ClN3S.C10H9NO2S.C7H4ClNS.C6H4FNO3.C6H9IN2.C4H8O/c1-4-35-16-32-27(17(35)2)25-15-21-28(40-25)24(11-12-31-21)38-23-10-9-19(14-20(23)30)33-29(39)34-26(36)13-18-7-5-6-8-22(18)37-3;1-3-23-10-22-18(11(23)2)17-9-14-19(28-17)16(6-7-21-14)27-15-5-4-12(24(25)26)8-13(15)20;1-3-24-10-23-18(11(24)2)17-9-14-19(26-17)16(6-7-22-14)25-15-5-4-12(21)8-13(15)20;1-3-17-7-16-12(8(17)2)11-6-10-13(18-11)9(14)4-5-15-10;1-13-9-5-3-2-4-8(9)6-10(12)11-7-14;8-5-1-3-9-6-2-4-10-7(5)6;7-5-3-4(8(10)11)1-2-6(5)9;1-3-9-4-8-6(7)5(9)2;1-2-4-5-3-1/h5-12,14-16H,4,13H2,1-3H3,(H2,33,34,36,39);4-10H,3H2,1-2H3;4-10H,3,21H2,1-2H3;4-7H,3H2,1-2H3;2-5H,6H2,1H3;1-4H;1-3,9H;4H,3H2,1-2H3;1-4H2
• InChIKey: MWCRQRCHXPOUFY-UHFFFAOYSA-N
• XLogP: 29.82
• TPSA: 412.02 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 36
• Rotatable Bonds: 24
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2462.48
LogP ≤ 5	29.82
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-ethyl-5-methylimidazol-4-yl)thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;1-ethyl-4-iodo-5-methylimidazole;2-(1-ethyl-5-methylimidazol-4-yl)-7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine;4-[2-(1-ethyl-5-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;N-[[4-[2-(1-ethyl-5-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]carbamothioyl]-2-(2-methoxyphenyl)acetamide;2-fluoro-4-nitrophenol;2-(2-methoxyphenyl)acetyl isothiocyanate;oxolane?

The IUPAC name of 7-chloro-2-(1-ethyl-5-methylimidazol-4-yl)thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;1-ethyl-4-iodo-5-methylimidazole;2-(1-ethyl-5-methylimidazol-4-yl)-7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine;4-[2-(1-ethyl-5-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;N-[[4-[2-(1-ethyl-5-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]carbamothioyl]-2-(2-methoxyphenyl)acetamide;2-fluoro-4-nitrophenol;2-(2-methoxyphenyl)acetyl isothiocyanate;oxolane (CID 159688570) is 7-chloro-2-(1-ethyl-5-methylimidazol-4-yl)thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;1-ethyl-4-iodo-5-methylimidazole;2-(1-ethyl-5-methylimidazol-4-yl)-7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine;4-[2-(1-ethyl-5-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;N-[[4-[2-(1-ethyl-5-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]carbamothioyl]-2-(2-methoxyphenyl)acetamide;2-fluoro-4-nitrophenol;2-(2-methoxyphenyl)acetyl isothiocyanate;oxolane.

What is the SMILES notation for 7-chloro-2-(1-ethyl-5-methylimidazol-4-yl)thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;1-ethyl-4-iodo-5-methylimidazole;2-(1-ethyl-5-methylimidazol-4-yl)-7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine;4-[2-(1-ethyl-5-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;N-[[4-[2-(1-ethyl-5-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]carbamothioyl]-2-(2-methoxyphenyl)acetamide;2-fluoro-4-nitrophenol;2-(2-methoxyphenyl)acetyl isothiocyanate;oxolane?

The canonical SMILES for 7-chloro-2-(1-ethyl-5-methylimidazol-4-yl)thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;1-ethyl-4-iodo-5-methylimidazole;2-(1-ethyl-5-methylimidazol-4-yl)-7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine;4-[2-(1-ethyl-5-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;N-[[4-[2-(1-ethyl-5-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]carbamothioyl]-2-(2-methoxyphenyl)acetamide;2-fluoro-4-nitrophenol;2-(2-methoxyphenyl)acetyl isothiocyanate;oxolane is C1CCOC1.CCn1cnc(-c2cc3nccc(Cl)c3s2)c1C.CCn1cnc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)c1C.CCn1cnc(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5OC)cc4F)c3s2)c1C.CCn1cnc(-c2cc3nccc(Oc4ccc([N+](=O)[O-])cc4F)c3s2)c1C.CCn1cnc(I)c1C.COc1ccccc1CC(=O)N=C=S.Clc1ccnc2ccsc12.O=[N+]([O-])c1ccc(O)c(F)c1.

What is the InChIKey of 7-chloro-2-(1-ethyl-5-methylimidazol-4-yl)thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;1-ethyl-4-iodo-5-methylimidazole;2-(1-ethyl-5-methylimidazol-4-yl)-7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine;4-[2-(1-ethyl-5-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;N-[[4-[2-(1-ethyl-5-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]carbamothioyl]-2-(2-methoxyphenyl)acetamide;2-fluoro-4-nitrophenol;2-(2-methoxyphenyl)acetyl isothiocyanate;oxolane?

The InChIKey is MWCRQRCHXPOUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FN5O3S2.C19H15FN4O3S.C19H17FN4OS.C13H12ClN3S.C10H9NO2S.C7H4ClNS.C6H4FNO3.C6H9IN2.C4H8O/c1-4-35-16-32-27(17(35)2)25-15-21-28(40-25)24(11-12-31-21)38-23-10-9-19(14-20(23)30)33-29(39)34-26(36)13-18-7-5-6-8-22(18)37-3;1-3-23-10-22-18(11(23)2)17-9-14-19(28-17)16(6-7-21-14)27-15-5-4-12(24(25)26)8-13(15)20;1-3-24-10-23-18(11(24)2)17-9-14-19(26-17)16(6-7-22-14)25-15-5-4-12(21)8-13(15)20;1-3-17-7-16-12(8(17)2)11-6-10-13(18-11)9(14)4-5-15-10;1-13-9-5-3-2-4-8(9)6-10(12)11-7-14;8-5-1-3-9-6-2-4-10-7(5)6;7-5-3-4(8(10)11)1-2-6(5)9;1-3-9-4-8-6(7)5(9)2;1-2-4-5-3-1/h5-12,14-16H,4,13H2,1-3H3,(H2,33,34,36,39);4-10H,3H2,1-2H3;4-10H,3,21H2,1-2H3;4-7H,3H2,1-2H3;2-5H,6H2,1H3;1-4H;1-3,9H;4H,3H2,1-2H3;1-4H2.

What are the key properties of 7-chloro-2-(1-ethyl-5-methylimidazol-4-yl)thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;1-ethyl-4-iodo-5-methylimidazole;2-(1-ethyl-5-methylimidazol-4-yl)-7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine;4-[2-(1-ethyl-5-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;N-[[4-[2-(1-ethyl-5-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]carbamothioyl]-2-(2-methoxyphenyl)acetamide;2-fluoro-4-nitrophenol;2-(2-methoxyphenyl)acetyl isothiocyanate;oxolane?

7-chloro-2-(1-ethyl-5-methylimidazol-4-yl)thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;1-ethyl-4-iodo-5-methylimidazole;2-(1-ethyl-5-methylimidazol-4-yl)-7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine;4-[2-(1-ethyl-5-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;N-[[4-[2-(1-ethyl-5-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]carbamothioyl]-2-(2-methoxyphenyl)acetamide;2-fluoro-4-nitrophenol;2-(2-methoxyphenyl)acetyl isothiocyanate;oxolane has a molecular weight of 2462.48 g/mol, XLogP of 29.82, 24 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-2-(1-ethyl-5-methylimidazol-4-yl)thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;1-ethyl-4-iodo-5-methylimidazole;2-(1-ethyl-5-methylimidazol-4-yl)-7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine;4-[2-(1-ethyl-5-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;N-[[4-[2-(1-ethyl-5-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]carbamothioyl]-2-(2-methoxyphenyl)acetamide;2-fluoro-4-nitrophenol;2-(2-methoxyphenyl)acetyl isothiocyanate;oxolane is sourced from PubChem (CID 159688570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).