bis(1H-indole);6-methoxycarbonylpyridine-2-carboxylic acid;4-methoxycarbonylthiophene-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-2-carboxylate;methyl 5-carbonochloridoylthiophene-3-carboxylate;methyl 5-(5-fluoro-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate

C88H68Cl2FN11O24S5 — CID 157314085

About bis(1H-indole);6-methoxycarbonylpyridine-2-carboxylic acid;4-methoxycarbonylthiophene-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-2-carboxylate;methyl 5-carbonochloridoylthiophene-3-carboxylate;methyl 5-(5-fluoro-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate

bis(1H-indole);6-methoxycarbonylpyridine-2-carboxylic acid;4-methoxycarbonylthiophene-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-2-carboxylate;methyl 5-carbonochloridoylthiophene-3-carboxylate;methyl 5-(5-fluoro-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate (PubChem CID 157314085) has the molecular formula C88H68Cl2FN11O24S5 and a molecular weight of 1913.80 g/mol. Its IUPAC name is bis(1H-indole);6-methoxycarbonylpyridine-2-carboxylic acid;4-methoxycarbonylthiophene-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-2-carboxylate;methyl 5-carbonochloridoylthiophene-3-carboxylate;methyl 5-(5-fluoro-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate.

Molecular Properties

• Compound Name: bis(1H-indole);6-methoxycarbonylpyridine-2-carboxylic acid;4-methoxycarbonylthiophene-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-2-carboxylate;methyl 5-carbonochloridoylthiophene-3-carboxylate;methyl 5-(5-fluoro-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate
• PubChem CID: 157314085
• Molecular Formula: C88H68Cl2FN11O24S5
• Molecular Weight: 1913.80 g/mol
• Exact Mass: 1911.24
• IUPAC Name: bis(1H-indole);6-methoxycarbonylpyridine-2-carboxylic acid;4-methoxycarbonylthiophene-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-2-carboxylate;methyl 5-carbonochloridoylthiophene-3-carboxylate;methyl 5-(5-fluoro-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate
• SMILES: COC(=O)c1cccc(C(=O)Cl)n1.COC(=O)c1cccc(C(=O)O)n1.COC(=O)c1csc(C(=O)Cl)c1.COC(=O)c1csc(C(=O)O)c1.COC(=O)c1csc(C(=O)c2c[nH]c3ccccc23)c1.COC(=O)c1nsc(C(=O)c2c[nH]c3ccc(F)cc23)n1.COC(=O)c1nsc(C(=O)c2c[nH]c3ccc(OC)cc23)n1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1
• InChI: InChI=1S/C15H11NO3S.C14H11N3O4S.C13H8FN3O3S.C8H6ClNO3.C8H7NO4.2C8H7N.C7H5ClO3S.C7H6O4S/c1-19-15(18)9-6-13(20-8-9)14(17)11-7-16-12-5-3-2-4-10(11)12;1-20-7-3-4-10-8(5-7)9(6-15-10)11(18)13-16-12(17-22-13)14(19)21-2;1-20-13(19)11-16-12(21-17-11)10(18)8-5-15-9-3-2-6(14)4-7(8)9;1-13-8(12)6-4-2-3-5(10-6)7(9)11;1-13-8(12)6-4-2-3-5(9-6)7(10)11;2*1-2-4-8-7(3-1)5-6-9-8;2*1-11-7(10)4-2-5(6(8)9)12-3-4/h2-8,16H,1H3;3-6,15H,1-2H3;2-5,15H,1H3;2-4H,1H3;2-4H,1H3,(H,10,11);2*1-6,9H;2-3H,1H3;2-3H,1H3,(H,8,9)
• InChIKey: BDJOSWSUFVAWSM-UHFFFAOYSA-N
• XLogP: 16.76
• TPSA: 509.57 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 18
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1913.80
LogP ≤ 5	16.76
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(1H-indole);6-methoxycarbonylpyridine-2-carboxylic acid;4-methoxycarbonylthiophene-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-2-carboxylate;methyl 5-carbonochloridoylthiophene-3-carboxylate;methyl 5-(5-fluoro-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate?

The IUPAC name of bis(1H-indole);6-methoxycarbonylpyridine-2-carboxylic acid;4-methoxycarbonylthiophene-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-2-carboxylate;methyl 5-carbonochloridoylthiophene-3-carboxylate;methyl 5-(5-fluoro-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate (CID 157314085) is bis(1H-indole);6-methoxycarbonylpyridine-2-carboxylic acid;4-methoxycarbonylthiophene-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-2-carboxylate;methyl 5-carbonochloridoylthiophene-3-carboxylate;methyl 5-(5-fluoro-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate.

What is the SMILES notation for bis(1H-indole);6-methoxycarbonylpyridine-2-carboxylic acid;4-methoxycarbonylthiophene-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-2-carboxylate;methyl 5-carbonochloridoylthiophene-3-carboxylate;methyl 5-(5-fluoro-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate?

The canonical SMILES for bis(1H-indole);6-methoxycarbonylpyridine-2-carboxylic acid;4-methoxycarbonylthiophene-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-2-carboxylate;methyl 5-carbonochloridoylthiophene-3-carboxylate;methyl 5-(5-fluoro-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate is COC(=O)c1cccc(C(=O)Cl)n1.COC(=O)c1cccc(C(=O)O)n1.COC(=O)c1csc(C(=O)Cl)c1.COC(=O)c1csc(C(=O)O)c1.COC(=O)c1csc(C(=O)c2c[nH]c3ccccc23)c1.COC(=O)c1nsc(C(=O)c2c[nH]c3ccc(F)cc23)n1.COC(=O)c1nsc(C(=O)c2c[nH]c3ccc(OC)cc23)n1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.

What is the InChIKey of bis(1H-indole);6-methoxycarbonylpyridine-2-carboxylic acid;4-methoxycarbonylthiophene-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-2-carboxylate;methyl 5-carbonochloridoylthiophene-3-carboxylate;methyl 5-(5-fluoro-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate?

The InChIKey is BDJOSWSUFVAWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3S.C14H11N3O4S.C13H8FN3O3S.C8H6ClNO3.C8H7NO4.2C8H7N.C7H5ClO3S.C7H6O4S/c1-19-15(18)9-6-13(20-8-9)14(17)11-7-16-12-5-3-2-4-10(11)12;1-20-7-3-4-10-8(5-7)9(6-15-10)11(18)13-16-12(17-22-13)14(19)21-2;1-20-13(19)11-16-12(21-17-11)10(18)8-5-15-9-3-2-6(14)4-7(8)9;1-13-8(12)6-4-2-3-5(10-6)7(9)11;1-13-8(12)6-4-2-3-5(9-6)7(10)11;2*1-2-4-8-7(3-1)5-6-9-8;2*1-11-7(10)4-2-5(6(8)9)12-3-4/h2-8,16H,1H3;3-6,15H,1-2H3;2-5,15H,1H3;2-4H,1H3;2-4H,1H3,(H,10,11);2*1-6,9H;2-3H,1H3;2-3H,1H3,(H,8,9).

What are the key properties of bis(1H-indole);6-methoxycarbonylpyridine-2-carboxylic acid;4-methoxycarbonylthiophene-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-2-carboxylate;methyl 5-carbonochloridoylthiophene-3-carboxylate;methyl 5-(5-fluoro-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate?

bis(1H-indole);6-methoxycarbonylpyridine-2-carboxylic acid;4-methoxycarbonylthiophene-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-2-carboxylate;methyl 5-carbonochloridoylthiophene-3-carboxylate;methyl 5-(5-fluoro-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate has a molecular weight of 1913.80 g/mol, XLogP of 16.76, 18 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1H-indole);6-methoxycarbonylpyridine-2-carboxylic acid;4-methoxycarbonylthiophene-2-carboxylic acid;methyl 6-carbonochloridoylpyridine-2-carboxylate;methyl 5-carbonochloridoylthiophene-3-carboxylate;methyl 5-(5-fluoro-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate is sourced from PubChem (CID 157314085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).