tetrapotassium;4-(4-aminobutylamino)-3-nitrobenzamide;5-aminopentyl(methyl)borinic acid;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzoic acid;hydride;methyl 2-amino-1-[(E)-4-(2-amino-5-carbamoylbenzimidazol-1-yl)but-2-enyl]benzimidazole-5-carboxylate;methyl 4-[4-(4-carbamoyl-2-nitroanilino)butylamino]-3-nitrobenzoate;methyl 4-fluoro-3-nitrobenzoate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-3-nitrobenzoic acid;oxido formate

C97H121BF2K4N24O36 — CID 159295879

About tetrapotassium;4-(4-aminobutylamino)-3-nitrobenzamide;5-aminopentyl(methyl)borinic acid;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzoic acid;hydride;methyl 2-amino-1-[(E)-4-(2-amino-5-carbamoylbenzimidazol-1-yl)but-2-enyl]benzimidazole-5-carboxylate;methyl 4-[4-(4-carbamoyl-2-nitroanilino)butylamino]-3-nitrobenzoate;methyl 4-fluoro-3-nitrobenzoate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-3-nitrobenzoic acid;oxido formate

tetrapotassium;4-(4-aminobutylamino)-3-nitrobenzamide;5-aminopentyl(methyl)borinic acid;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzoic acid;hydride;methyl 2-amino-1-[(E)-4-(2-amino-5-carbamoylbenzimidazol-1-yl)but-2-enyl]benzimidazole-5-carboxylate;methyl 4-[4-(4-carbamoyl-2-nitroanilino)butylamino]-3-nitrobenzoate;methyl 4-fluoro-3-nitrobenzoate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-3-nitrobenzoic acid;oxido formate (PubChem CID 159295879) has the molecular formula C97H121BF2K4N24O36 and a molecular weight of 2404.37 g/mol. Its IUPAC name is tetrapotassium;4-(4-aminobutylamino)-3-nitrobenzamide;5-aminopentyl(methyl)borinic acid;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzoic acid;hydride;methyl 2-amino-1-[(E)-4-(2-amino-5-carbamoylbenzimidazol-1-yl)but-2-enyl]benzimidazole-5-carboxylate;methyl 4-[4-(4-carbamoyl-2-nitroanilino)butylamino]-3-nitrobenzoate;methyl 4-fluoro-3-nitrobenzoate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-3-nitrobenzoic acid;oxido formate.

Molecular Properties

• Compound Name: tetrapotassium;4-(4-aminobutylamino)-3-nitrobenzamide;5-aminopentyl(methyl)borinic acid;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzoic acid;hydride;methyl 2-amino-1-[(E)-4-(2-amino-5-carbamoylbenzimidazol-1-yl)but-2-enyl]benzimidazole-5-carboxylate;methyl 4-[4-(4-carbamoyl-2-nitroanilino)butylamino]-3-nitrobenzoate;methyl 4-fluoro-3-nitrobenzoate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-3-nitrobenzoic acid;oxido formate
• PubChem CID: 159295879
• Molecular Formula: C97H121BF2K4N24O36
• Molecular Weight: 2404.37 g/mol
• Exact Mass: 2402.70
• IUPAC Name: tetrapotassium;4-(4-aminobutylamino)-3-nitrobenzamide;5-aminopentyl(methyl)borinic acid;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzoic acid;hydride;methyl 2-amino-1-[(E)-4-(2-amino-5-carbamoylbenzimidazol-1-yl)but-2-enyl]benzimidazole-5-carboxylate;methyl 4-[4-(4-carbamoyl-2-nitroanilino)butylamino]-3-nitrobenzoate;methyl 4-fluoro-3-nitrobenzoate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-3-nitrobenzoic acid;oxido formate
• SMILES: CB(O)CCCCCN.CC(C)(C)OC(=O)NCCCCNc1ccc(C(=O)O)cc1[N+](=O)[O-].CCn1nc(C)cc1C(=O)O.COC(=O)c1ccc(F)c([N+](=O)[O-])c1.COC(=O)c1ccc(NCCCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])c([N+](=O)[O-])c1.COC(=O)c1ccc2c(c1)nc(N)n2C/C=C/Cn1c(N)nc2cc(C(N)=O)ccc21.NCCCCNc1ccc(C(N)=O)cc1[N+](=O)[O-].O=C(O)c1ccc(F)c([N+](=O)[O-])c1.O=CO[O-].O=CO[O-].[H-].[H-].[K+].[K+].[K+].[K+]
• InChI: InChI=1S/C21H21N7O3.C19H21N5O7.C16H23N3O6.C11H16N4O3.C8H6FNO4.C7H4FNO4.C7H10N2O2.C6H16BNO.2CH2O3.4K.2H/c1-31-19(30)13-5-7-17-15(11-13)26-21(24)28(17)9-3-2-8-27-16-6-4-12(18(22)29)10-14(16)25-20(27)23;1-31-19(26)13-5-7-15(17(11-13)24(29)30)22-9-3-2-8-21-14-6-4-12(18(20)25)10-16(14)23(27)28;1-16(2,3)25-15(22)18-9-5-4-8-17-12-7-6-11(14(20)21)10-13(12)19(23)24;12-5-1-2-6-14-9-4-3-8(11(13)16)7-10(9)15(17)18;1-14-8(11)5-2-3-6(9)7(4-5)10(12)13;8-5-2-1-4(7(10)11)3-6(5)9(12)13;1-3-9-6(7(10)11)4-5(2)8-9;1-7(9)5-3-2-4-6-8;2*2-1-4-3;;;;;;/h2-7,10-11H,8-9H2,1H3,(H2,22,29)(H2,23,25)(H2,24,26);4-7,10-11,21-22H,2-3,8-9H2,1H3,(H2,20,25);6-7,10,17H,4-5,8-9H2,1-3H3,(H,18,22)(H,20,21);3-4,7,14H,1-2,5-6,12H2,(H2,13,16);2-4H,1H3;1-3H,(H,10,11);4H,3H2,1-2H3,(H,10,11);9H,2-6,8H2,1H3;2*1,3H;;;;;;/q;;;;;;;;;;4*+1;2*-1/p-2/b3-2+
• InChIKey: OWJSCNSJPDFPHF-FZUUVJDCSA-L
• XLogP: -2.06
• TPSA: 941.85 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 47
• Rotatable Bonds: 45
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2404.37
LogP ≤ 5	-2.06
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetrapotassium;4-(4-aminobutylamino)-3-nitrobenzamide;5-aminopentyl(methyl)borinic acid;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzoic acid;hydride;methyl 2-amino-1-[(E)-4-(2-amino-5-carbamoylbenzimidazol-1-yl)but-2-enyl]benzimidazole-5-carboxylate;methyl 4-[4-(4-carbamoyl-2-nitroanilino)butylamino]-3-nitrobenzoate;methyl 4-fluoro-3-nitrobenzoate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-3-nitrobenzoic acid;oxido formate?

The IUPAC name of tetrapotassium;4-(4-aminobutylamino)-3-nitrobenzamide;5-aminopentyl(methyl)borinic acid;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzoic acid;hydride;methyl 2-amino-1-[(E)-4-(2-amino-5-carbamoylbenzimidazol-1-yl)but-2-enyl]benzimidazole-5-carboxylate;methyl 4-[4-(4-carbamoyl-2-nitroanilino)butylamino]-3-nitrobenzoate;methyl 4-fluoro-3-nitrobenzoate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-3-nitrobenzoic acid;oxido formate (CID 159295879) is tetrapotassium;4-(4-aminobutylamino)-3-nitrobenzamide;5-aminopentyl(methyl)borinic acid;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzoic acid;hydride;methyl 2-amino-1-[(E)-4-(2-amino-5-carbamoylbenzimidazol-1-yl)but-2-enyl]benzimidazole-5-carboxylate;methyl 4-[4-(4-carbamoyl-2-nitroanilino)butylamino]-3-nitrobenzoate;methyl 4-fluoro-3-nitrobenzoate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-3-nitrobenzoic acid;oxido formate.

What is the SMILES notation for tetrapotassium;4-(4-aminobutylamino)-3-nitrobenzamide;5-aminopentyl(methyl)borinic acid;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzoic acid;hydride;methyl 2-amino-1-[(E)-4-(2-amino-5-carbamoylbenzimidazol-1-yl)but-2-enyl]benzimidazole-5-carboxylate;methyl 4-[4-(4-carbamoyl-2-nitroanilino)butylamino]-3-nitrobenzoate;methyl 4-fluoro-3-nitrobenzoate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-3-nitrobenzoic acid;oxido formate?

The canonical SMILES for tetrapotassium;4-(4-aminobutylamino)-3-nitrobenzamide;5-aminopentyl(methyl)borinic acid;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzoic acid;hydride;methyl 2-amino-1-[(E)-4-(2-amino-5-carbamoylbenzimidazol-1-yl)but-2-enyl]benzimidazole-5-carboxylate;methyl 4-[4-(4-carbamoyl-2-nitroanilino)butylamino]-3-nitrobenzoate;methyl 4-fluoro-3-nitrobenzoate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-3-nitrobenzoic acid;oxido formate is CB(O)CCCCCN.CC(C)(C)OC(=O)NCCCCNc1ccc(C(=O)O)cc1[N+](=O)[O-].CCn1nc(C)cc1C(=O)O.COC(=O)c1ccc(F)c([N+](=O)[O-])c1.COC(=O)c1ccc(NCCCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])c([N+](=O)[O-])c1.COC(=O)c1ccc2c(c1)nc(N)n2C/C=C/Cn1c(N)nc2cc(C(N)=O)ccc21.NCCCCNc1ccc(C(N)=O)cc1[N+](=O)[O-].O=C(O)c1ccc(F)c([N+](=O)[O-])c1.O=CO[O-].O=CO[O-].[H-].[H-].[K+].[K+].[K+].[K+].

What is the InChIKey of tetrapotassium;4-(4-aminobutylamino)-3-nitrobenzamide;5-aminopentyl(methyl)borinic acid;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzoic acid;hydride;methyl 2-amino-1-[(E)-4-(2-amino-5-carbamoylbenzimidazol-1-yl)but-2-enyl]benzimidazole-5-carboxylate;methyl 4-[4-(4-carbamoyl-2-nitroanilino)butylamino]-3-nitrobenzoate;methyl 4-fluoro-3-nitrobenzoate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-3-nitrobenzoic acid;oxido formate?

The InChIKey is OWJSCNSJPDFPHF-FZUUVJDCSA-L. The full InChI is InChI=1S/C21H21N7O3.C19H21N5O7.C16H23N3O6.C11H16N4O3.C8H6FNO4.C7H4FNO4.C7H10N2O2.C6H16BNO.2CH2O3.4K.2H/c1-31-19(30)13-5-7-17-15(11-13)26-21(24)28(17)9-3-2-8-27-16-6-4-12(18(22)29)10-14(16)25-20(27)23;1-31-19(26)13-5-7-15(17(11-13)24(29)30)22-9-3-2-8-21-14-6-4-12(18(20)25)10-16(14)23(27)28;1-16(2,3)25-15(22)18-9-5-4-8-17-12-7-6-11(14(20)21)10-13(12)19(23)24;12-5-1-2-6-14-9-4-3-8(11(13)16)7-10(9)15(17)18;1-14-8(11)5-2-3-6(9)7(4-5)10(12)13;8-5-2-1-4(7(10)11)3-6(5)9(12)13;1-3-9-6(7(10)11)4-5(2)8-9;1-7(9)5-3-2-4-6-8;2*2-1-4-3;;;;;;/h2-7,10-11H,8-9H2,1H3,(H2,22,29)(H2,23,25)(H2,24,26);4-7,10-11,21-22H,2-3,8-9H2,1H3,(H2,20,25);6-7,10,17H,4-5,8-9H2,1-3H3,(H,18,22)(H,20,21);3-4,7,14H,1-2,5-6,12H2,(H2,13,16);2-4H,1H3;1-3H,(H,10,11);4H,3H2,1-2H3,(H,10,11);9H,2-6,8H2,1H3;2*1,3H;;;;;;/q;;;;;;;;;;4*+1;2*-1/p-2/b3-2+;;;;;;;;;;;;;;;.

What are the key properties of tetrapotassium;4-(4-aminobutylamino)-3-nitrobenzamide;5-aminopentyl(methyl)borinic acid;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzoic acid;hydride;methyl 2-amino-1-[(E)-4-(2-amino-5-carbamoylbenzimidazol-1-yl)but-2-enyl]benzimidazole-5-carboxylate;methyl 4-[4-(4-carbamoyl-2-nitroanilino)butylamino]-3-nitrobenzoate;methyl 4-fluoro-3-nitrobenzoate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-3-nitrobenzoic acid;oxido formate?

tetrapotassium;4-(4-aminobutylamino)-3-nitrobenzamide;5-aminopentyl(methyl)borinic acid;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzoic acid;hydride;methyl 2-amino-1-[(E)-4-(2-amino-5-carbamoylbenzimidazol-1-yl)but-2-enyl]benzimidazole-5-carboxylate;methyl 4-[4-(4-carbamoyl-2-nitroanilino)butylamino]-3-nitrobenzoate;methyl 4-fluoro-3-nitrobenzoate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-3-nitrobenzoic acid;oxido formate has a molecular weight of 2404.37 g/mol, XLogP of -2.06, 45 rotatable bonds, 16 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for tetrapotassium;4-(4-aminobutylamino)-3-nitrobenzamide;5-aminopentyl(methyl)borinic acid;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzoic acid;hydride;methyl 2-amino-1-[(E)-4-(2-amino-5-carbamoylbenzimidazol-1-yl)but-2-enyl]benzimidazole-5-carboxylate;methyl 4-[4-(4-carbamoyl-2-nitroanilino)butylamino]-3-nitrobenzoate;methyl 4-fluoro-3-nitrobenzoate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-3-nitrobenzoic acid;oxido formate is sourced from PubChem (CID 159295879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).