methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[5-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyridazin-3-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-3-methyl-4-[(1-methyl-4-oxaldehydoylpyrazol-5-yl)diazenyl]pyrazol-1-yl]-5-cyano-3-isocyano-4-methyl-2-pyridinyl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate

C122H127N83O21 — CID 158116597

About methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[5-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyridazin-3-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-3-methyl-4-[(1-methyl-4-oxaldehydoylpyrazol-5-yl)diazenyl]pyrazol-1-yl]-5-cyano-3-isocyano-4-methyl-2-pyridinyl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate

methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[5-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyridazin-3-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-3-methyl-4-[(1-methyl-4-oxaldehydoylpyrazol-5-yl)diazenyl]pyrazol-1-yl]-5-cyano-3-isocyano-4-methyl-2-pyridinyl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate (PubChem CID 158116597) has the molecular formula C122H127N83O21 and a molecular weight of 3091.92 g/mol. Its IUPAC name is methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[5-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyridazin-3-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-3-methyl-4-[(1-methyl-4-oxaldehydoylpyrazol-5-yl)diazenyl]pyrazol-1-yl]-5-cyano-3-isocyano-4-methyl-2-pyridinyl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate.

Molecular Properties

• Compound Name: methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[5-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyridazin-3-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-3-methyl-4-[(1-methyl-4-oxaldehydoylpyrazol-5-yl)diazenyl]pyrazol-1-yl]-5-cyano-3-isocyano-4-methyl-2-pyridinyl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate
• PubChem CID: 158116597
• Molecular Formula: C122H127N83O21
• Molecular Weight: 3091.92 g/mol
• Exact Mass: 3090.14
• IUPAC Name: methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[5-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyridazin-3-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-3-methyl-4-[(1-methyl-4-oxaldehydoylpyrazol-5-yl)diazenyl]pyrazol-1-yl]-5-cyano-3-isocyano-4-methyl-2-pyridinyl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate
• SMILES: COC(=O)c1cnn(C)c1/N=N/c1c(C)nn(-c2ccc(-n3nc(C)c(/N=N/c4c(C(=O)OC)cnn4C)c3N)nn2)c1N.COC(=O)c1cnn(C)c1/N=N/c1c(C)nn(-c2cnc(-n3nc(C)c(/N=N/c4c(C(=O)OC)cnn4C)c3N)cn2)c1N.COC(=O)c1cnn(C)c1/N=N/c1c(C)nn(-c2nc(O)nc(-n3nc(C)c(/N=N/c4c(C(=O)OC)cnn4C)c3N)n2)c1N.COC(=O)c1cnn(C)c1/N=N/c1c(C)nn(-c2ncnc(-n3nc(C)c(/N=N/c4c(C(=O)OC)cnn4C)c3N)n2)c1N.[C-]#[N+]c1c(-n2nc(C)c(/N=N/c3c(C(=O)OC)cnn3C)c2N)nc(-n2nc(C)c(/N=N/c3c(C(=O)C=O)cnn3C)c2N)c(C#N)c1C
• InChI: InChI=1S/C28H25N17O4.2C24H26N16O4.C23H25N17O5.C23H25N17O4/c1-12-15(8-29)24(44-22(30)20(13(2)40-44)36-38-25-16(18(47)11-46)9-33-42(25)5)35-27(19(12)32-4)45-23(31)21(14(3)41-45)37-39-26-17(28(48)49-7)10-34-43(26)6;1-11-17(31-33-21-13(23(41)43-5)7-29-37(21)3)19(25)39(35-11)15-9-28-16(10-27-15)40-20(26)18(12(2)36-40)32-34-22-14(24(42)44-6)8-30-38(22)4;1-11-17(31-33-21-13(23(41)43-5)9-27-37(21)3)19(25)39(35-11)15-7-8-16(30-29-15)40-20(26)18(12(2)36-40)32-34-22-14(24(42)44-6)10-28-38(22)4;1-9-13(31-33-17-11(19(41)44-5)7-26-37(17)3)15(24)39(35-9)21-28-22(30-23(43)29-21)40-16(25)14(10(2)36-40)32-34-18-12(20(42)45-6)8-27-38(18)4;1-10-14(31-33-18-12(20(41)43-5)7-28-37(18)3)16(24)39(35-10)22-26-9-27-23(30-22)40-17(25)15(11(2)36-40)32-34-19-13(21(42)44-6)8-29-38(19)4/h9-11H,30-31H2,1-3,5-7H3;2*7-10H,25-26H2,1-6H3;7-8H,24-25H2,1-6H3,(H,28,29,30,43);7-9H,24-25H2,1-6H3/b38-36+,39-37+;4*33-31+,34-32+
• InChIKey: FRBVZEWGXMMLHV-AWVZFBKYSA-N
• XLogP: 11.93
• TPSA: 1324.81 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 103
• Rotatable Bonds: 41
• Heavy Atoms: 226
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3091.92
LogP ≤ 5	11.93
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	103

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[5-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyridazin-3-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-3-methyl-4-[(1-methyl-4-oxaldehydoylpyrazol-5-yl)diazenyl]pyrazol-1-yl]-5-cyano-3-isocyano-4-methyl-2-pyridinyl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate?

The IUPAC name of methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[5-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyridazin-3-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-3-methyl-4-[(1-methyl-4-oxaldehydoylpyrazol-5-yl)diazenyl]pyrazol-1-yl]-5-cyano-3-isocyano-4-methyl-2-pyridinyl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate (CID 158116597) is methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[5-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyridazin-3-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-3-methyl-4-[(1-methyl-4-oxaldehydoylpyrazol-5-yl)diazenyl]pyrazol-1-yl]-5-cyano-3-isocyano-4-methyl-2-pyridinyl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate.

What is the SMILES notation for methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[5-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyridazin-3-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-3-methyl-4-[(1-methyl-4-oxaldehydoylpyrazol-5-yl)diazenyl]pyrazol-1-yl]-5-cyano-3-isocyano-4-methyl-2-pyridinyl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate?

The canonical SMILES for methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[5-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyridazin-3-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-3-methyl-4-[(1-methyl-4-oxaldehydoylpyrazol-5-yl)diazenyl]pyrazol-1-yl]-5-cyano-3-isocyano-4-methyl-2-pyridinyl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate is COC(=O)c1cnn(C)c1/N=N/c1c(C)nn(-c2ccc(-n3nc(C)c(/N=N/c4c(C(=O)OC)cnn4C)c3N)nn2)c1N.COC(=O)c1cnn(C)c1/N=N/c1c(C)nn(-c2cnc(-n3nc(C)c(/N=N/c4c(C(=O)OC)cnn4C)c3N)cn2)c1N.COC(=O)c1cnn(C)c1/N=N/c1c(C)nn(-c2nc(O)nc(-n3nc(C)c(/N=N/c4c(C(=O)OC)cnn4C)c3N)n2)c1N.COC(=O)c1cnn(C)c1/N=N/c1c(C)nn(-c2ncnc(-n3nc(C)c(/N=N/c4c(C(=O)OC)cnn4C)c3N)n2)c1N.[C-]#[N+]c1c(-n2nc(C)c(/N=N/c3c(C(=O)OC)cnn3C)c2N)nc(-n2nc(C)c(/N=N/c3c(C(=O)C=O)cnn3C)c2N)c(C#N)c1C.

What is the InChIKey of methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[5-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyridazin-3-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-3-methyl-4-[(1-methyl-4-oxaldehydoylpyrazol-5-yl)diazenyl]pyrazol-1-yl]-5-cyano-3-isocyano-4-methyl-2-pyridinyl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate?

The InChIKey is FRBVZEWGXMMLHV-AWVZFBKYSA-N. The full InChI is InChI=1S/C28H25N17O4.2C24H26N16O4.C23H25N17O5.C23H25N17O4/c1-12-15(8-29)24(44-22(30)20(13(2)40-44)36-38-25-16(18(47)11-46)9-33-42(25)5)35-27(19(12)32-4)45-23(31)21(14(3)41-45)37-39-26-17(28(48)49-7)10-34-43(26)6;1-11-17(31-33-21-13(23(41)43-5)7-29-37(21)3)19(25)39(35-11)15-9-28-16(10-27-15)40-20(26)18(12(2)36-40)32-34-22-14(24(42)44-6)8-30-38(22)4;1-11-17(31-33-21-13(23(41)43-5)9-27-37(21)3)19(25)39(35-11)15-7-8-16(30-29-15)40-20(26)18(12(2)36-40)32-34-22-14(24(42)44-6)10-28-38(22)4;1-9-13(31-33-17-11(19(41)44-5)7-26-37(17)3)15(24)39(35-9)21-28-22(30-23(43)29-21)40-16(25)14(10(2)36-40)32-34-18-12(20(42)45-6)8-27-38(18)4;1-10-14(31-33-18-12(20(41)43-5)7-28-37(18)3)16(24)39(35-10)22-26-9-27-23(30-22)40-17(25)15(11(2)36-40)32-34-19-13(21(42)44-6)8-29-38(19)4/h9-11H,30-31H2,1-3,5-7H3;2*7-10H,25-26H2,1-6H3;7-8H,24-25H2,1-6H3,(H,28,29,30,43);7-9H,24-25H2,1-6H3/b38-36+,39-37+;4*33-31+,34-32+.

What are the key properties of methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[5-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyridazin-3-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-3-methyl-4-[(1-methyl-4-oxaldehydoylpyrazol-5-yl)diazenyl]pyrazol-1-yl]-5-cyano-3-isocyano-4-methyl-2-pyridinyl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate?

methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[5-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyridazin-3-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-3-methyl-4-[(1-methyl-4-oxaldehydoylpyrazol-5-yl)diazenyl]pyrazol-1-yl]-5-cyano-3-isocyano-4-methyl-2-pyridinyl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate has a molecular weight of 3091.92 g/mol, XLogP of 11.93, 41 rotatable bonds, 11 hydrogen bond donors, and 103 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[5-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyridazin-3-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-3-methyl-4-[(1-methyl-4-oxaldehydoylpyrazol-5-yl)diazenyl]pyrazol-1-yl]-5-cyano-3-isocyano-4-methyl-2-pyridinyl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 158116597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).