3-[[4-[5-amino-4-[[1-(4-carboxyphenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]amino]-5-formyloxybenzoic acid;2-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyano-3-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-4-(2,6-diethyl-4-methylanilino)-1H-pyrimidin-6-one;4-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-(2,6-diethyl-4-methylanilino)-1H-1,3,5-triazin-2-one;3-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-1H-pyrazin-2-one;6-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-N-(2,4,6-trimethylphenyl)pyridazin-3-amine;4-[5-[[5-amino-3-methyl-1-[2-oxo-6-(2-sulfoethylamino)-1H-1,3,5-triazin-4-yl]pyrazol-4-yl]diazenyl]-4-methylperoxysulfanylpyrazol-1-yl]benzenesulfonic acid

C148H129Cl8N67O19S3 — CID 161242248

About 3-[[4-[5-amino-4-[[1-(4-carboxyphenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]amino]-5-formyloxybenzoic acid;2-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyano-3-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-4-(2,6-diethyl-4-methylanilino)-1H-pyrimidin-6-one;4-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-(2,6-diethyl-4-methylanilino)-1H-1,3,5-triazin-2-one;3-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-1H-pyrazin-2-one;6-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-N-(2,4,6-trimethylphenyl)pyridazin-3-amine;4-[5-[[5-amino-3-methyl-1-[2-oxo-6-(2-sulfoethylamino)-1H-1,3,5-triazin-4-yl]pyrazol-4-yl]diazenyl]-4-methylperoxysulfanylpyrazol-1-yl]benzenesulfonic acid

3-[[4-[5-amino-4-[[1-(4-carboxyphenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]amino]-5-formyloxybenzoic acid;2-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyano-3-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-4-(2,6-diethyl-4-methylanilino)-1H-pyrimidin-6-one;4-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-(2,6-diethyl-4-methylanilino)-1H-1,3,5-triazin-2-one;3-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-1H-pyrazin-2-one;6-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-N-(2,4,6-trimethylphenyl)pyridazin-3-amine;4-[5-[[5-amino-3-methyl-1-[2-oxo-6-(2-sulfoethylamino)-1H-1,3,5-triazin-4-yl]pyrazol-4-yl]diazenyl]-4-methylperoxysulfanylpyrazol-1-yl]benzenesulfonic acid (PubChem CID 161242248) has the molecular formula C148H129Cl8N67O19S3 and a molecular weight of 3529.93 g/mol. Its IUPAC name is 3-[[4-[5-amino-4-[[1-(4-carboxyphenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]amino]-5-formyloxybenzoic acid;2-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyano-3-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-4-(2,6-diethyl-4-methylanilino)-1H-pyrimidin-6-one;4-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-(2,6-diethyl-4-methylanilino)-1H-1,3,5-triazin-2-one;3-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-1H-pyrazin-2-one;6-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-N-(2,4,6-trimethylphenyl)pyridazin-3-amine;4-[5-[[5-amino-3-methyl-1-[2-oxo-6-(2-sulfoethylamino)-1H-1,3,5-triazin-4-yl]pyrazol-4-yl]diazenyl]-4-methylperoxysulfanylpyrazol-1-yl]benzenesulfonic acid.

Molecular Properties

• Compound Name: 3-[[4-[5-amino-4-[[1-(4-carboxyphenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]amino]-5-formyloxybenzoic acid;2-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyano-3-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-4-(2,6-diethyl-4-methylanilino)-1H-pyrimidin-6-one;4-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-(2,6-diethyl-4-methylanilino)-1H-1,3,5-triazin-2-one;3-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-1H-pyrazin-2-one;6-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-N-(2,4,6-trimethylphenyl)pyridazin-3-amine;4-[5-[[5-amino-3-methyl-1-[2-oxo-6-(2-sulfoethylamino)-1H-1,3,5-triazin-4-yl]pyrazol-4-yl]diazenyl]-4-methylperoxysulfanylpyrazol-1-yl]benzenesulfonic acid
• PubChem CID: 161242248
• Molecular Formula: C148H129Cl8N67O19S3
• Molecular Weight: 3529.93 g/mol
• Exact Mass: 3523.79
• IUPAC Name: 3-[[4-[5-amino-4-[[1-(4-carboxyphenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]amino]-5-formyloxybenzoic acid;2-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyano-3-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-4-(2,6-diethyl-4-methylanilino)-1H-pyrimidin-6-one;4-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-(2,6-diethyl-4-methylanilino)-1H-1,3,5-triazin-2-one;3-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-1H-pyrazin-2-one;6-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-N-(2,4,6-trimethylphenyl)pyridazin-3-amine;4-[5-[[5-amino-3-methyl-1-[2-oxo-6-(2-sulfoethylamino)-1H-1,3,5-triazin-4-yl]pyrazol-4-yl]diazenyl]-4-methylperoxysulfanylpyrazol-1-yl]benzenesulfonic acid
• SMILES: COOSc1cnn(-c2ccc(S(=O)(=O)O)cc2)c1/N=N/c1c(C)nn(-c2nc(NCCS(=O)(=O)O)[nH]c(=O)n2)c1N.[C-]#[N+]c1c(C)nn(-c2c(Cl)cccc2Cl)c1/N=N/c1c(C)nn(-c2nc(Nc3c(CC)cc(C)cc3CC)cc(=O)[nH]2)c1N.[C-]#[N+]c1cnn(-c2c(Cl)cccc2Cl)c1/N=N/c1c(C)nn(-c2ccc(Nc3c(C)cc(C)cc3C)nn2)c1N.[C-]#[N+]c1cnn(-c2c(Cl)cccc2Cl)c1/N=N/c1c(C)nn(-c2nc(Nc3c(CC)cc(C)cc3CC)[nH]c(=O)n2)c1N.[C-]#[N+]c1cnn(-c2c(Cl)cccc2Cl)c1/N=N/c1c(C)nn(-c2ncc[nH]c2=O)c1N.[C-]#[N+]c1cnn(-c2ccc(C(=O)O)cc2)c1/N=N/c1c(C)nn(-c2nc(O)nc(Nc3cc(OC=O)cc(C(=O)O)c3)n2)c1N
• InChI: InChI=1S/C30H29Cl2N11O.C28H26Cl2N12O.C27H23Cl2N11.C26H18N12O7.C19H21N11O9S3.C18H12Cl2N10O/c1-7-18-12-15(3)13-19(8-2)26(18)35-22-14-23(44)37-30(36-22)43-28(33)24(16(4)41-43)38-39-29-25(34-6)17(5)40-42(29)27-20(31)10-9-11-21(27)32;1-6-16-11-14(3)12-17(7-2)22(16)34-26-35-27(37-28(43)36-26)42-24(31)21(15(4)40-42)38-39-25-20(32-5)13-33-41(25)23-18(29)9-8-10-19(23)30;1-14-11-15(2)23(16(3)12-14)33-21-9-10-22(35-34-21)39-26(30)24(17(4)38-39)36-37-27-20(31-5)13-32-40(27)25-18(28)7-6-8-19(25)29;1-12-19(34-35-21-18(28-2)10-29-37(21)16-5-3-13(4-6-16)22(40)41)20(27)38(36-12)25-31-24(32-26(44)33-25)30-15-7-14(23(42)43)8-17(9-15)45-11-39;1-10-14(15(20)30(28-10)18-23-17(24-19(31)25-18)21-7-8-41(32,33)34)26-27-16-13(40-39-38-2)9-22-29(16)11-3-5-12(6-4-11)42(35,36)37;1-9-13(15(21)30(28-9)17-18(31)24-7-6-23-17)26-27-16-12(22-2)8-25-29(16)14-10(19)4-3-5-11(14)20/h9-14H,7-8,33H2,1-5H3,(H2,35,36,37,44);8-13H,6-7,31H2,1-4H3,(H2,34,35,36,37,43);6-13H,30H2,1-4H3,(H,33,34);3-11H,27H2,1H3,(H,40,41)(H,42,43)(H2,30,31,32,33,44);3-6,9H,7-8,20H2,1-2H3,(H,32,33,34)(H,35,36,37)(H2,21,23,24,25,31);3-8H,21H2,1H3,(H,24,31)/b2*39-38+;37-36+;35-34+;2*27-26+
• InChIKey: VAEAQDJGSIXHTG-GNCJYZGYSA-N
• XLogP: 31.11
• TPSA: 1121.79 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 74
• Rotatable Bonds: 48
• Heavy Atoms: 245
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3529.93
LogP ≤ 5	31.11
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	74

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[5-amino-4-[[1-(4-carboxyphenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]amino]-5-formyloxybenzoic acid;2-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyano-3-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-4-(2,6-diethyl-4-methylanilino)-1H-pyrimidin-6-one;4-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-(2,6-diethyl-4-methylanilino)-1H-1,3,5-triazin-2-one;3-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-1H-pyrazin-2-one;6-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-N-(2,4,6-trimethylphenyl)pyridazin-3-amine;4-[5-[[5-amino-3-methyl-1-[2-oxo-6-(2-sulfoethylamino)-1H-1,3,5-triazin-4-yl]pyrazol-4-yl]diazenyl]-4-methylperoxysulfanylpyrazol-1-yl]benzenesulfonic acid?

The IUPAC name of 3-[[4-[5-amino-4-[[1-(4-carboxyphenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]amino]-5-formyloxybenzoic acid;2-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyano-3-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-4-(2,6-diethyl-4-methylanilino)-1H-pyrimidin-6-one;4-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-(2,6-diethyl-4-methylanilino)-1H-1,3,5-triazin-2-one;3-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-1H-pyrazin-2-one;6-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-N-(2,4,6-trimethylphenyl)pyridazin-3-amine;4-[5-[[5-amino-3-methyl-1-[2-oxo-6-(2-sulfoethylamino)-1H-1,3,5-triazin-4-yl]pyrazol-4-yl]diazenyl]-4-methylperoxysulfanylpyrazol-1-yl]benzenesulfonic acid (CID 161242248) is 3-[[4-[5-amino-4-[[1-(4-carboxyphenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]amino]-5-formyloxybenzoic acid;2-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyano-3-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-4-(2,6-diethyl-4-methylanilino)-1H-pyrimidin-6-one;4-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-(2,6-diethyl-4-methylanilino)-1H-1,3,5-triazin-2-one;3-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-1H-pyrazin-2-one;6-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-N-(2,4,6-trimethylphenyl)pyridazin-3-amine;4-[5-[[5-amino-3-methyl-1-[2-oxo-6-(2-sulfoethylamino)-1H-1,3,5-triazin-4-yl]pyrazol-4-yl]diazenyl]-4-methylperoxysulfanylpyrazol-1-yl]benzenesulfonic acid.

What is the SMILES notation for 3-[[4-[5-amino-4-[[1-(4-carboxyphenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]amino]-5-formyloxybenzoic acid;2-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyano-3-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-4-(2,6-diethyl-4-methylanilino)-1H-pyrimidin-6-one;4-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-(2,6-diethyl-4-methylanilino)-1H-1,3,5-triazin-2-one;3-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-1H-pyrazin-2-one;6-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-N-(2,4,6-trimethylphenyl)pyridazin-3-amine;4-[5-[[5-amino-3-methyl-1-[2-oxo-6-(2-sulfoethylamino)-1H-1,3,5-triazin-4-yl]pyrazol-4-yl]diazenyl]-4-methylperoxysulfanylpyrazol-1-yl]benzenesulfonic acid?

The canonical SMILES for 3-[[4-[5-amino-4-[[1-(4-carboxyphenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]amino]-5-formyloxybenzoic acid;2-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyano-3-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-4-(2,6-diethyl-4-methylanilino)-1H-pyrimidin-6-one;4-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-(2,6-diethyl-4-methylanilino)-1H-1,3,5-triazin-2-one;3-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-1H-pyrazin-2-one;6-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-N-(2,4,6-trimethylphenyl)pyridazin-3-amine;4-[5-[[5-amino-3-methyl-1-[2-oxo-6-(2-sulfoethylamino)-1H-1,3,5-triazin-4-yl]pyrazol-4-yl]diazenyl]-4-methylperoxysulfanylpyrazol-1-yl]benzenesulfonic acid is COOSc1cnn(-c2ccc(S(=O)(=O)O)cc2)c1/N=N/c1c(C)nn(-c2nc(NCCS(=O)(=O)O)[nH]c(=O)n2)c1N.[C-]#[N+]c1c(C)nn(-c2c(Cl)cccc2Cl)c1/N=N/c1c(C)nn(-c2nc(Nc3c(CC)cc(C)cc3CC)cc(=O)[nH]2)c1N.[C-]#[N+]c1cnn(-c2c(Cl)cccc2Cl)c1/N=N/c1c(C)nn(-c2ccc(Nc3c(C)cc(C)cc3C)nn2)c1N.[C-]#[N+]c1cnn(-c2c(Cl)cccc2Cl)c1/N=N/c1c(C)nn(-c2nc(Nc3c(CC)cc(C)cc3CC)[nH]c(=O)n2)c1N.[C-]#[N+]c1cnn(-c2c(Cl)cccc2Cl)c1/N=N/c1c(C)nn(-c2ncc[nH]c2=O)c1N.[C-]#[N+]c1cnn(-c2ccc(C(=O)O)cc2)c1/N=N/c1c(C)nn(-c2nc(O)nc(Nc3cc(OC=O)cc(C(=O)O)c3)n2)c1N.

What is the InChIKey of 3-[[4-[5-amino-4-[[1-(4-carboxyphenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]amino]-5-formyloxybenzoic acid;2-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyano-3-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-4-(2,6-diethyl-4-methylanilino)-1H-pyrimidin-6-one;4-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-(2,6-diethyl-4-methylanilino)-1H-1,3,5-triazin-2-one;3-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-1H-pyrazin-2-one;6-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-N-(2,4,6-trimethylphenyl)pyridazin-3-amine;4-[5-[[5-amino-3-methyl-1-[2-oxo-6-(2-sulfoethylamino)-1H-1,3,5-triazin-4-yl]pyrazol-4-yl]diazenyl]-4-methylperoxysulfanylpyrazol-1-yl]benzenesulfonic acid?

The InChIKey is VAEAQDJGSIXHTG-GNCJYZGYSA-N. The full InChI is InChI=1S/C30H29Cl2N11O.C28H26Cl2N12O.C27H23Cl2N11.C26H18N12O7.C19H21N11O9S3.C18H12Cl2N10O/c1-7-18-12-15(3)13-19(8-2)26(18)35-22-14-23(44)37-30(36-22)43-28(33)24(16(4)41-43)38-39-29-25(34-6)17(5)40-42(29)27-20(31)10-9-11-21(27)32;1-6-16-11-14(3)12-17(7-2)22(16)34-26-35-27(37-28(43)36-26)42-24(31)21(15(4)40-42)38-39-25-20(32-5)13-33-41(25)23-18(29)9-8-10-19(23)30;1-14-11-15(2)23(16(3)12-14)33-21-9-10-22(35-34-21)39-26(30)24(17(4)38-39)36-37-27-20(31-5)13-32-40(27)25-18(28)7-6-8-19(25)29;1-12-19(34-35-21-18(28-2)10-29-37(21)16-5-3-13(4-6-16)22(40)41)20(27)38(36-12)25-31-24(32-26(44)33-25)30-15-7-14(23(42)43)8-17(9-15)45-11-39;1-10-14(15(20)30(28-10)18-23-17(24-19(31)25-18)21-7-8-41(32,33)34)26-27-16-13(40-39-38-2)9-22-29(16)11-3-5-12(6-4-11)42(35,36)37;1-9-13(15(21)30(28-9)17-18(31)24-7-6-23-17)26-27-16-12(22-2)8-25-29(16)14-10(19)4-3-5-11(14)20/h9-14H,7-8,33H2,1-5H3,(H2,35,36,37,44);8-13H,6-7,31H2,1-4H3,(H2,34,35,36,37,43);6-13H,30H2,1-4H3,(H,33,34);3-11H,27H2,1H3,(H,40,41)(H,42,43)(H2,30,31,32,33,44);3-6,9H,7-8,20H2,1-2H3,(H,32,33,34)(H,35,36,37)(H2,21,23,24,25,31);3-8H,21H2,1H3,(H,24,31)/b2*39-38+;37-36+;35-34+;2*27-26+.

What are the key properties of 3-[[4-[5-amino-4-[[1-(4-carboxyphenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]amino]-5-formyloxybenzoic acid;2-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyano-3-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-4-(2,6-diethyl-4-methylanilino)-1H-pyrimidin-6-one;4-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-(2,6-diethyl-4-methylanilino)-1H-1,3,5-triazin-2-one;3-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-1H-pyrazin-2-one;6-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-N-(2,4,6-trimethylphenyl)pyridazin-3-amine;4-[5-[[5-amino-3-methyl-1-[2-oxo-6-(2-sulfoethylamino)-1H-1,3,5-triazin-4-yl]pyrazol-4-yl]diazenyl]-4-methylperoxysulfanylpyrazol-1-yl]benzenesulfonic acid?

3-[[4-[5-amino-4-[[1-(4-carboxyphenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]amino]-5-formyloxybenzoic acid;2-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyano-3-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-4-(2,6-diethyl-4-methylanilino)-1H-pyrimidin-6-one;4-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-(2,6-diethyl-4-methylanilino)-1H-1,3,5-triazin-2-one;3-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-1H-pyrazin-2-one;6-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-N-(2,4,6-trimethylphenyl)pyridazin-3-amine;4-[5-[[5-amino-3-methyl-1-[2-oxo-6-(2-sulfoethylamino)-1H-1,3,5-triazin-4-yl]pyrazol-4-yl]diazenyl]-4-methylperoxysulfanylpyrazol-1-yl]benzenesulfonic acid has a molecular weight of 3529.93 g/mol, XLogP of 31.11, 48 rotatable bonds, 20 hydrogen bond donors, and 74 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-[5-amino-4-[[1-(4-carboxyphenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]amino]-5-formyloxybenzoic acid;2-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyano-3-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-4-(2,6-diethyl-4-methylanilino)-1H-pyrimidin-6-one;4-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-(2,6-diethyl-4-methylanilino)-1H-1,3,5-triazin-2-one;3-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-1H-pyrazin-2-one;6-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-N-(2,4,6-trimethylphenyl)pyridazin-3-amine;4-[5-[[5-amino-3-methyl-1-[2-oxo-6-(2-sulfoethylamino)-1H-1,3,5-triazin-4-yl]pyrazol-4-yl]diazenyl]-4-methylperoxysulfanylpyrazol-1-yl]benzenesulfonic acid is sourced from PubChem (CID 161242248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).