3-anilino-3-oxopropanoic acid;2-[4-[7-[4-[(3-anilino-3-oxopropanoyl)amino]-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]acetic acid;7-chlorothieno[3,2-b]pyridine;ethyl 2-[4-[7-[4-[(3-anilino-3-oxopropanoyl)amino]-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]acetate;ethyl 2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]acetate;bis(ethyl 2-[4-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]acetate);ethyl 2-(4-iodoimidazol-1-yl)acetate;2-fluoro-4-nitrophenol;5-iodo-1H-imidazole;methane

C149H143Cl2F5I2N28O30S6 — CID 158008484

About 3-anilino-3-oxopropanoic acid;2-[4-[7-[4-[(3-anilino-3-oxopropanoyl)amino]-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]acetic acid;7-chlorothieno[3,2-b]pyridine;ethyl 2-[4-[7-[4-[(3-anilino-3-oxopropanoyl)amino]-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]acetate;ethyl 2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]acetate;bis(ethyl 2-[4-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]acetate);ethyl 2-(4-iodoimidazol-1-yl)acetate;2-fluoro-4-nitrophenol;5-iodo-1H-imidazole;methane

3-anilino-3-oxopropanoic acid;2-[4-[7-[4-[(3-anilino-3-oxopropanoyl)amino]-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]acetic acid;7-chlorothieno[3,2-b]pyridine;ethyl 2-[4-[7-[4-[(3-anilino-3-oxopropanoyl)amino]-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]acetate;ethyl 2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]acetate;bis(ethyl 2-[4-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]acetate);ethyl 2-(4-iodoimidazol-1-yl)acetate;2-fluoro-4-nitrophenol;5-iodo-1H-imidazole;methane (PubChem CID 158008484) has the molecular formula C149H143Cl2F5I2N28O30S6 and a molecular weight of 3418.05 g/mol. Its IUPAC name is 3-anilino-3-oxopropanoic acid;2-[4-[7-[4-[(3-anilino-3-oxopropanoyl)amino]-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]acetic acid;7-chlorothieno[3,2-b]pyridine;ethyl 2-[4-[7-[4-[(3-anilino-3-oxopropanoyl)amino]-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]acetate;ethyl 2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]acetate;bis(ethyl 2-[4-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]acetate);ethyl 2-(4-iodoimidazol-1-yl)acetate;2-fluoro-4-nitrophenol;5-iodo-1H-imidazole;methane.

Molecular Properties

• Compound Name: 3-anilino-3-oxopropanoic acid;2-[4-[7-[4-[(3-anilino-3-oxopropanoyl)amino]-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]acetic acid;7-chlorothieno[3,2-b]pyridine;ethyl 2-[4-[7-[4-[(3-anilino-3-oxopropanoyl)amino]-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]acetate;ethyl 2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]acetate;bis(ethyl 2-[4-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]acetate);ethyl 2-(4-iodoimidazol-1-yl)acetate;2-fluoro-4-nitrophenol;5-iodo-1H-imidazole;methane
• PubChem CID: 158008484
• Molecular Formula: C149H143Cl2F5I2N28O30S6
• Molecular Weight: 3418.05 g/mol
• Exact Mass: 3414.62
• IUPAC Name: 3-anilino-3-oxopropanoic acid;2-[4-[7-[4-[(3-anilino-3-oxopropanoyl)amino]-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]acetic acid;7-chlorothieno[3,2-b]pyridine;ethyl 2-[4-[7-[4-[(3-anilino-3-oxopropanoyl)amino]-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]acetate;ethyl 2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]acetate;bis(ethyl 2-[4-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]acetate);ethyl 2-(4-iodoimidazol-1-yl)acetate;2-fluoro-4-nitrophenol;5-iodo-1H-imidazole;methane
• SMILES: C.C.C.C.C.C.C.CCOC(=O)Cn1cnc(-c2cc3nccc(Cl)c3s2)c1.CCOC(=O)Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=O)CC(=O)Nc5ccccc5)cc4F)c3s2)c1.CCOC(=O)Cn1cnc(-c2cc3nccc(Oc4ccc([N+](=O)[O-])cc4F)c3s2)c1.CCOC(=O)Cn1cnc(-c2cc3nccc(Oc4ccc([N+](=O)[O-])cc4F)c3s2)c1.CCOC(=O)Cn1cnc(I)c1.Clc1ccnc2ccsc12.Ic1cnc[nH]1.O=C(O)CC(=O)Nc1ccccc1.O=C(O)Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=O)CC(=O)Nc5ccccc5)cc4F)c3s2)c1.O=[N+]([O-])c1ccc(O)c(F)c1
• InChI: InChI=1S/C29H24FN5O5S.C27H20FN5O5S.2C20H15FN4O5S.C14H12ClN3O2S.C9H9NO3.C7H4ClNS.C7H9IN2O2.C6H4FNO3.C3H3IN2.7CH4/c1-2-39-28(38)16-35-15-22(32-17-35)25-13-21-29(41-25)24(10-11-31-21)40-23-9-8-19(12-20(23)30)34-27(37)14-26(36)33-18-6-4-3-5-7-18;28-18-10-17(32-25(35)12-24(34)31-16-4-2-1-3-5-16)6-7-21(18)38-22-8-9-29-19-11-23(39-27(19)22)20-13-33(15-30-20)14-26(36)37;2*1-2-29-19(26)10-24-9-15(23-11-24)18-8-14-20(31-18)17(5-6-22-14)30-16-4-3-12(25(27)28)7-13(16)21;1-2-20-13(19)7-18-6-11(17-8-18)12-5-10-14(21-12)9(15)3-4-16-10;11-8(6-9(12)13)10-7-4-2-1-3-5-7;8-5-1-3-9-6-2-4-10-7(5)6;1-2-12-7(11)4-10-3-6(8)9-5-10;7-5-3-4(8(10)11)1-2-6(5)9;4-3-1-5-2-6-3;;;;;;;/h3-13,15,17H,2,14,16H2,1H3,(H,33,36)(H,34,37);1-11,13,15H,12,14H2,(H,31,34)(H,32,35)(H,36,37);2*3-9,11H,2,10H2,1H3;3-6,8H,2,7H2,1H3;1-5H,6H2,(H,10,11)(H,12,13);1-4H;3,5H,2,4H2,1H3;1-3,9H;1-2H,(H,5,6);7*1H4
• InChIKey: FEPAVZXDNPPILL-UHFFFAOYSA-N
• XLogP: 35.27
• TPSA: 751.11 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 53
• Rotatable Bonds: 44
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3418.05
LogP ≤ 5	35.27
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	53

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', '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 3-anilino-3-oxopropanoic acid;2-[4-[7-[4-[(3-anilino-3-oxopropanoyl)amino]-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]acetic acid;7-chlorothieno[3,2-b]pyridine;ethyl 2-[4-[7-[4-[(3-anilino-3-oxopropanoyl)amino]-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]acetate;ethyl 2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]acetate;bis(ethyl 2-[4-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]acetate);ethyl 2-(4-iodoimidazol-1-yl)acetate;2-fluoro-4-nitrophenol;5-iodo-1H-imidazole;methane?

The IUPAC name of 3-anilino-3-oxopropanoic acid;2-[4-[7-[4-[(3-anilino-3-oxopropanoyl)amino]-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]acetic acid;7-chlorothieno[3,2-b]pyridine;ethyl 2-[4-[7-[4-[(3-anilino-3-oxopropanoyl)amino]-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]acetate;ethyl 2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]acetate;bis(ethyl 2-[4-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]acetate);ethyl 2-(4-iodoimidazol-1-yl)acetate;2-fluoro-4-nitrophenol;5-iodo-1H-imidazole;methane (CID 158008484) is 3-anilino-3-oxopropanoic acid;2-[4-[7-[4-[(3-anilino-3-oxopropanoyl)amino]-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]acetic acid;7-chlorothieno[3,2-b]pyridine;ethyl 2-[4-[7-[4-[(3-anilino-3-oxopropanoyl)amino]-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]acetate;ethyl 2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]acetate;bis(ethyl 2-[4-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]acetate);ethyl 2-(4-iodoimidazol-1-yl)acetate;2-fluoro-4-nitrophenol;5-iodo-1H-imidazole;methane.

What is the SMILES notation for 3-anilino-3-oxopropanoic acid;2-[4-[7-[4-[(3-anilino-3-oxopropanoyl)amino]-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]acetic acid;7-chlorothieno[3,2-b]pyridine;ethyl 2-[4-[7-[4-[(3-anilino-3-oxopropanoyl)amino]-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]acetate;ethyl 2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]acetate;bis(ethyl 2-[4-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]acetate);ethyl 2-(4-iodoimidazol-1-yl)acetate;2-fluoro-4-nitrophenol;5-iodo-1H-imidazole;methane?

The canonical SMILES for 3-anilino-3-oxopropanoic acid;2-[4-[7-[4-[(3-anilino-3-oxopropanoyl)amino]-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]acetic acid;7-chlorothieno[3,2-b]pyridine;ethyl 2-[4-[7-[4-[(3-anilino-3-oxopropanoyl)amino]-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]acetate;ethyl 2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]acetate;bis(ethyl 2-[4-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]acetate);ethyl 2-(4-iodoimidazol-1-yl)acetate;2-fluoro-4-nitrophenol;5-iodo-1H-imidazole;methane is C.C.C.C.C.C.C.CCOC(=O)Cn1cnc(-c2cc3nccc(Cl)c3s2)c1.CCOC(=O)Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=O)CC(=O)Nc5ccccc5)cc4F)c3s2)c1.CCOC(=O)Cn1cnc(-c2cc3nccc(Oc4ccc([N+](=O)[O-])cc4F)c3s2)c1.CCOC(=O)Cn1cnc(-c2cc3nccc(Oc4ccc([N+](=O)[O-])cc4F)c3s2)c1.CCOC(=O)Cn1cnc(I)c1.Clc1ccnc2ccsc12.Ic1cnc[nH]1.O=C(O)CC(=O)Nc1ccccc1.O=C(O)Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=O)CC(=O)Nc5ccccc5)cc4F)c3s2)c1.O=[N+]([O-])c1ccc(O)c(F)c1.

What is the InChIKey of 3-anilino-3-oxopropanoic acid;2-[4-[7-[4-[(3-anilino-3-oxopropanoyl)amino]-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]acetic acid;7-chlorothieno[3,2-b]pyridine;ethyl 2-[4-[7-[4-[(3-anilino-3-oxopropanoyl)amino]-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]acetate;ethyl 2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]acetate;bis(ethyl 2-[4-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]acetate);ethyl 2-(4-iodoimidazol-1-yl)acetate;2-fluoro-4-nitrophenol;5-iodo-1H-imidazole;methane?

The InChIKey is FEPAVZXDNPPILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN5O5S.C27H20FN5O5S.2C20H15FN4O5S.C14H12ClN3O2S.C9H9NO3.C7H4ClNS.C7H9IN2O2.C6H4FNO3.C3H3IN2.7CH4/c1-2-39-28(38)16-35-15-22(32-17-35)25-13-21-29(41-25)24(10-11-31-21)40-23-9-8-19(12-20(23)30)34-27(37)14-26(36)33-18-6-4-3-5-7-18;28-18-10-17(32-25(35)12-24(34)31-16-4-2-1-3-5-16)6-7-21(18)38-22-8-9-29-19-11-23(39-27(19)22)20-13-33(15-30-20)14-26(36)37;2*1-2-29-19(26)10-24-9-15(23-11-24)18-8-14-20(31-18)17(5-6-22-14)30-16-4-3-12(25(27)28)7-13(16)21;1-2-20-13(19)7-18-6-11(17-8-18)12-5-10-14(21-12)9(15)3-4-16-10;11-8(6-9(12)13)10-7-4-2-1-3-5-7;8-5-1-3-9-6-2-4-10-7(5)6;1-2-12-7(11)4-10-3-6(8)9-5-10;7-5-3-4(8(10)11)1-2-6(5)9;4-3-1-5-2-6-3;;;;;;;/h3-13,15,17H,2,14,16H2,1H3,(H,33,36)(H,34,37);1-11,13,15H,12,14H2,(H,31,34)(H,32,35)(H,36,37);2*3-9,11H,2,10H2,1H3;3-6,8H,2,7H2,1H3;1-5H,6H2,(H,10,11)(H,12,13);1-4H;3,5H,2,4H2,1H3;1-3,9H;1-2H,(H,5,6);7*1H4.

What are the key properties of 3-anilino-3-oxopropanoic acid;2-[4-[7-[4-[(3-anilino-3-oxopropanoyl)amino]-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]acetic acid;7-chlorothieno[3,2-b]pyridine;ethyl 2-[4-[7-[4-[(3-anilino-3-oxopropanoyl)amino]-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]acetate;ethyl 2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]acetate;bis(ethyl 2-[4-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]acetate);ethyl 2-(4-iodoimidazol-1-yl)acetate;2-fluoro-4-nitrophenol;5-iodo-1H-imidazole;methane?

3-anilino-3-oxopropanoic acid;2-[4-[7-[4-[(3-anilino-3-oxopropanoyl)amino]-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]acetic acid;7-chlorothieno[3,2-b]pyridine;ethyl 2-[4-[7-[4-[(3-anilino-3-oxopropanoyl)amino]-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]acetate;ethyl 2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]acetate;bis(ethyl 2-[4-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]acetate);ethyl 2-(4-iodoimidazol-1-yl)acetate;2-fluoro-4-nitrophenol;5-iodo-1H-imidazole;methane has a molecular weight of 3418.05 g/mol, XLogP of 35.27, 44 rotatable bonds, 9 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for 3-anilino-3-oxopropanoic acid;2-[4-[7-[4-[(3-anilino-3-oxopropanoyl)amino]-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]acetic acid;7-chlorothieno[3,2-b]pyridine;ethyl 2-[4-[7-[4-[(3-anilino-3-oxopropanoyl)amino]-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]acetate;ethyl 2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]acetate;bis(ethyl 2-[4-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]acetate);ethyl 2-(4-iodoimidazol-1-yl)acetate;2-fluoro-4-nitrophenol;5-iodo-1H-imidazole;methane is sourced from PubChem (CID 158008484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).