1-[5-[[1-[6-[4-[(4-acetyl-1-methylpyrazol-5-yl)diazenyl]-5-amino-3-methylpyrazol-1-yl]pyrimidin-4-yl]-5-amino-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazol-4-yl]ethanone;[5-[[5-amino-1-[6-[5-amino-4-[(4-benzoyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazol-4-yl]-phenylmethanone;5-[[5-amino-1-[6-[5-amino-4-[[4-(dimethylcarbamoyl)-1-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-N,N,1-trimethylpyrazole-4-carboxamide;5-[[5-amino-1-[6-[5-amino-3-methyl-4-[[1-methyl-4-(methylcarbamoyl)pyrazol-5-yl]diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-N,1-dimethylpyrazole-4-carboxamide;methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1H-pyrazole-4-carboxylate

C129H137N85O13 — CID 159466094

About 1-[5-[[1-[6-[4-[(4-acetyl-1-methylpyrazol-5-yl)diazenyl]-5-amino-3-methylpyrazol-1-yl]pyrimidin-4-yl]-5-amino-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazol-4-yl]ethanone;[5-[[5-amino-1-[6-[5-amino-4-[(4-benzoyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazol-4-yl]-phenylmethanone;5-[[5-amino-1-[6-[5-amino-4-[[4-(dimethylcarbamoyl)-1-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-N,N,1-trimethylpyrazole-4-carboxamide;5-[[5-amino-1-[6-[5-amino-3-methyl-4-[[1-methyl-4-(methylcarbamoyl)pyrazol-5-yl]diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-N,1-dimethylpyrazole-4-carboxamide;methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1H-pyrazole-4-carboxylate

1-[5-[[1-[6-[4-[(4-acetyl-1-methylpyrazol-5-yl)diazenyl]-5-amino-3-methylpyrazol-1-yl]pyrimidin-4-yl]-5-amino-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazol-4-yl]ethanone;[5-[[5-amino-1-[6-[5-amino-4-[(4-benzoyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazol-4-yl]-phenylmethanone;5-[[5-amino-1-[6-[5-amino-4-[[4-(dimethylcarbamoyl)-1-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-N,N,1-trimethylpyrazole-4-carboxamide;5-[[5-amino-1-[6-[5-amino-3-methyl-4-[[1-methyl-4-(methylcarbamoyl)pyrazol-5-yl]diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-N,1-dimethylpyrazole-4-carboxamide;methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1H-pyrazole-4-carboxylate (PubChem CID 159466094) has the molecular formula C129H137N85O13 and a molecular weight of 3086.10 g/mol. Its IUPAC name is 1-[5-[[1-[6-[4-[(4-acetyl-1-methylpyrazol-5-yl)diazenyl]-5-amino-3-methylpyrazol-1-yl]pyrimidin-4-yl]-5-amino-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazol-4-yl]ethanone;[5-[[5-amino-1-[6-[5-amino-4-[(4-benzoyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazol-4-yl]-phenylmethanone;5-[[5-amino-1-[6-[5-amino-4-[[4-(dimethylcarbamoyl)-1-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-N,N,1-trimethylpyrazole-4-carboxamide;5-[[5-amino-1-[6-[5-amino-3-methyl-4-[[1-methyl-4-(methylcarbamoyl)pyrazol-5-yl]diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-N,1-dimethylpyrazole-4-carboxamide;methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1H-pyrazole-4-carboxylate.

Molecular Properties

• Compound Name: 1-[5-[[1-[6-[4-[(4-acetyl-1-methylpyrazol-5-yl)diazenyl]-5-amino-3-methylpyrazol-1-yl]pyrimidin-4-yl]-5-amino-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazol-4-yl]ethanone;[5-[[5-amino-1-[6-[5-amino-4-[(4-benzoyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazol-4-yl]-phenylmethanone;5-[[5-amino-1-[6-[5-amino-4-[[4-(dimethylcarbamoyl)-1-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-N,N,1-trimethylpyrazole-4-carboxamide;5-[[5-amino-1-[6-[5-amino-3-methyl-4-[[1-methyl-4-(methylcarbamoyl)pyrazol-5-yl]diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-N,1-dimethylpyrazole-4-carboxamide;methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1H-pyrazole-4-carboxylate
• PubChem CID: 159466094
• Molecular Formula: C129H137N85O13
• Molecular Weight: 3086.10 g/mol
• Exact Mass: 3084.27
• IUPAC Name: 1-[5-[[1-[6-[4-[(4-acetyl-1-methylpyrazol-5-yl)diazenyl]-5-amino-3-methylpyrazol-1-yl]pyrimidin-4-yl]-5-amino-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazol-4-yl]ethanone;[5-[[5-amino-1-[6-[5-amino-4-[(4-benzoyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazol-4-yl]-phenylmethanone;5-[[5-amino-1-[6-[5-amino-4-[[4-(dimethylcarbamoyl)-1-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-N,N,1-trimethylpyrazole-4-carboxamide;5-[[5-amino-1-[6-[5-amino-3-methyl-4-[[1-methyl-4-(methylcarbamoyl)pyrazol-5-yl]diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-N,1-dimethylpyrazole-4-carboxamide;methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1H-pyrazole-4-carboxylate
• SMILES: CC(=O)c1cnn(C)c1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4c(C(C)=O)cnn4C)c3N)ncn2)c1N.CNC(=O)c1cnn(C)c1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4c(C(=O)NC)cnn4C)c3N)ncn2)c1N.COC(=O)c1cn[nH]c1/N=N/c1c(C)nn(-c2nc(O)nc(-n3nc(C)c(/N=N/c4[nH]ncc4C(=O)OC)c3N)n2)c1N.Cc1nn(-c2cc(-n3nc(C)c(/N=N/c4c(C(=O)N(C)C)cnn4C)c3N)ncn2)c(N)c1/N=N/c1c(C(=O)N(C)C)cnn1C.Cc1nn(-c2cc(-n3nc(C)c(/N=N/c4c(C(=O)c5ccccc5)cnn4C)c3N)ncn2)c(N)c1/N=N/c1c(C(=O)c2ccccc2)cnn1C
• InChI: InChI=1S/C34H30N16O2.C26H32N18O2.C24H28N18O2.C24H26N16O2.C21H21N17O5/c1-19-27(41-43-33-23(16-39-47(33)3)29(51)21-11-7-5-8-12-21)31(35)49(45-19)25-15-26(38-18-37-25)50-32(36)28(20(2)46-50)42-44-34-24(17-40-48(34)4)30(52)22-13-9-6-10-14-22;1-13-19(33-35-23-15(10-31-41(23)7)25(45)39(3)4)21(27)43(37-13)17-9-18(30-12-29-17)44-22(28)20(14(2)38-44)34-36-24-16(11-32-42(24)8)26(46)40(5)6;1-11-17(33-35-21-13(23(43)27-3)8-31-39(21)5)19(25)41(37-11)15-7-16(30-10-29-15)42-20(26)18(12(2)38-42)34-36-22-14(24(44)28-4)9-32-40(22)6;1-11-19(31-33-23-15(13(3)41)8-29-37(23)5)21(25)39(35-11)17-7-18(28-10-27-17)40-22(26)20(12(2)36-40)32-34-24-16(14(4)42)9-30-38(24)6;1-7-11(29-33-15-9(5-24-31-15)17(39)42-3)13(22)37(35-7)19-26-20(28-21(41)27-19)38-14(23)12(8(2)36-38)30-34-16-10(6-25-32-16)18(40)43-4/h5-18H,35-36H2,1-4H3;9-12H,27-28H2,1-8H3;7-10H,25-26H2,1-6H3,(H,27,43)(H,28,44);7-10H,25-26H2,1-6H3;5-6H,22-23H2,1-4H3,(H,24,31)(H,25,32)(H,26,27,28,41)/b43-41+,44-42+;2*35-33+,36-34+;33-31+,34-32+;33-29+,34-30+
• InChIKey: LVEWIWCQWGOHLW-DZACFZADSA-N
• XLogP: 14.28
• TPSA: 1267.24 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 92
• Rotatable Bonds: 42
• Heavy Atoms: 227
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3086.10
LogP ≤ 5	14.28
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	92

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[1-[6-[4-[(4-acetyl-1-methylpyrazol-5-yl)diazenyl]-5-amino-3-methylpyrazol-1-yl]pyrimidin-4-yl]-5-amino-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazol-4-yl]ethanone;[5-[[5-amino-1-[6-[5-amino-4-[(4-benzoyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazol-4-yl]-phenylmethanone;5-[[5-amino-1-[6-[5-amino-4-[[4-(dimethylcarbamoyl)-1-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-N,N,1-trimethylpyrazole-4-carboxamide;5-[[5-amino-1-[6-[5-amino-3-methyl-4-[[1-methyl-4-(methylcarbamoyl)pyrazol-5-yl]diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-N,1-dimethylpyrazole-4-carboxamide;methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1H-pyrazole-4-carboxylate?

The IUPAC name of 1-[5-[[1-[6-[4-[(4-acetyl-1-methylpyrazol-5-yl)diazenyl]-5-amino-3-methylpyrazol-1-yl]pyrimidin-4-yl]-5-amino-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazol-4-yl]ethanone;[5-[[5-amino-1-[6-[5-amino-4-[(4-benzoyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazol-4-yl]-phenylmethanone;5-[[5-amino-1-[6-[5-amino-4-[[4-(dimethylcarbamoyl)-1-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-N,N,1-trimethylpyrazole-4-carboxamide;5-[[5-amino-1-[6-[5-amino-3-methyl-4-[[1-methyl-4-(methylcarbamoyl)pyrazol-5-yl]diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-N,1-dimethylpyrazole-4-carboxamide;methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1H-pyrazole-4-carboxylate (CID 159466094) is 1-[5-[[1-[6-[4-[(4-acetyl-1-methylpyrazol-5-yl)diazenyl]-5-amino-3-methylpyrazol-1-yl]pyrimidin-4-yl]-5-amino-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazol-4-yl]ethanone;[5-[[5-amino-1-[6-[5-amino-4-[(4-benzoyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazol-4-yl]-phenylmethanone;5-[[5-amino-1-[6-[5-amino-4-[[4-(dimethylcarbamoyl)-1-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-N,N,1-trimethylpyrazole-4-carboxamide;5-[[5-amino-1-[6-[5-amino-3-methyl-4-[[1-methyl-4-(methylcarbamoyl)pyrazol-5-yl]diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-N,1-dimethylpyrazole-4-carboxamide;methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1H-pyrazole-4-carboxylate.

What is the SMILES notation for 1-[5-[[1-[6-[4-[(4-acetyl-1-methylpyrazol-5-yl)diazenyl]-5-amino-3-methylpyrazol-1-yl]pyrimidin-4-yl]-5-amino-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazol-4-yl]ethanone;[5-[[5-amino-1-[6-[5-amino-4-[(4-benzoyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazol-4-yl]-phenylmethanone;5-[[5-amino-1-[6-[5-amino-4-[[4-(dimethylcarbamoyl)-1-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-N,N,1-trimethylpyrazole-4-carboxamide;5-[[5-amino-1-[6-[5-amino-3-methyl-4-[[1-methyl-4-(methylcarbamoyl)pyrazol-5-yl]diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-N,1-dimethylpyrazole-4-carboxamide;methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1H-pyrazole-4-carboxylate?

The canonical SMILES for 1-[5-[[1-[6-[4-[(4-acetyl-1-methylpyrazol-5-yl)diazenyl]-5-amino-3-methylpyrazol-1-yl]pyrimidin-4-yl]-5-amino-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazol-4-yl]ethanone;[5-[[5-amino-1-[6-[5-amino-4-[(4-benzoyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazol-4-yl]-phenylmethanone;5-[[5-amino-1-[6-[5-amino-4-[[4-(dimethylcarbamoyl)-1-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-N,N,1-trimethylpyrazole-4-carboxamide;5-[[5-amino-1-[6-[5-amino-3-methyl-4-[[1-methyl-4-(methylcarbamoyl)pyrazol-5-yl]diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-N,1-dimethylpyrazole-4-carboxamide;methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1H-pyrazole-4-carboxylate is CC(=O)c1cnn(C)c1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4c(C(C)=O)cnn4C)c3N)ncn2)c1N.CNC(=O)c1cnn(C)c1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4c(C(=O)NC)cnn4C)c3N)ncn2)c1N.COC(=O)c1cn[nH]c1/N=N/c1c(C)nn(-c2nc(O)nc(-n3nc(C)c(/N=N/c4[nH]ncc4C(=O)OC)c3N)n2)c1N.Cc1nn(-c2cc(-n3nc(C)c(/N=N/c4c(C(=O)N(C)C)cnn4C)c3N)ncn2)c(N)c1/N=N/c1c(C(=O)N(C)C)cnn1C.Cc1nn(-c2cc(-n3nc(C)c(/N=N/c4c(C(=O)c5ccccc5)cnn4C)c3N)ncn2)c(N)c1/N=N/c1c(C(=O)c2ccccc2)cnn1C.

What is the InChIKey of 1-[5-[[1-[6-[4-[(4-acetyl-1-methylpyrazol-5-yl)diazenyl]-5-amino-3-methylpyrazol-1-yl]pyrimidin-4-yl]-5-amino-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazol-4-yl]ethanone;[5-[[5-amino-1-[6-[5-amino-4-[(4-benzoyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazol-4-yl]-phenylmethanone;5-[[5-amino-1-[6-[5-amino-4-[[4-(dimethylcarbamoyl)-1-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-N,N,1-trimethylpyrazole-4-carboxamide;5-[[5-amino-1-[6-[5-amino-3-methyl-4-[[1-methyl-4-(methylcarbamoyl)pyrazol-5-yl]diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-N,1-dimethylpyrazole-4-carboxamide;methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1H-pyrazole-4-carboxylate?

The InChIKey is LVEWIWCQWGOHLW-DZACFZADSA-N. The full InChI is InChI=1S/C34H30N16O2.C26H32N18O2.C24H28N18O2.C24H26N16O2.C21H21N17O5/c1-19-27(41-43-33-23(16-39-47(33)3)29(51)21-11-7-5-8-12-21)31(35)49(45-19)25-15-26(38-18-37-25)50-32(36)28(20(2)46-50)42-44-34-24(17-40-48(34)4)30(52)22-13-9-6-10-14-22;1-13-19(33-35-23-15(10-31-41(23)7)25(45)39(3)4)21(27)43(37-13)17-9-18(30-12-29-17)44-22(28)20(14(2)38-44)34-36-24-16(11-32-42(24)8)26(46)40(5)6;1-11-17(33-35-21-13(23(43)27-3)8-31-39(21)5)19(25)41(37-11)15-7-16(30-10-29-15)42-20(26)18(12(2)38-42)34-36-22-14(24(44)28-4)9-32-40(22)6;1-11-19(31-33-23-15(13(3)41)8-29-37(23)5)21(25)39(35-11)17-7-18(28-10-27-17)40-22(26)20(12(2)36-40)32-34-24-16(14(4)42)9-30-38(24)6;1-7-11(29-33-15-9(5-24-31-15)17(39)42-3)13(22)37(35-7)19-26-20(28-21(41)27-19)38-14(23)12(8(2)36-38)30-34-16-10(6-25-32-16)18(40)43-4/h5-18H,35-36H2,1-4H3;9-12H,27-28H2,1-8H3;7-10H,25-26H2,1-6H3,(H,27,43)(H,28,44);7-10H,25-26H2,1-6H3;5-6H,22-23H2,1-4H3,(H,24,31)(H,25,32)(H,26,27,28,41)/b43-41+,44-42+;2*35-33+,36-34+;33-31+,34-32+;33-29+,34-30+.

What are the key properties of 1-[5-[[1-[6-[4-[(4-acetyl-1-methylpyrazol-5-yl)diazenyl]-5-amino-3-methylpyrazol-1-yl]pyrimidin-4-yl]-5-amino-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazol-4-yl]ethanone;[5-[[5-amino-1-[6-[5-amino-4-[(4-benzoyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazol-4-yl]-phenylmethanone;5-[[5-amino-1-[6-[5-amino-4-[[4-(dimethylcarbamoyl)-1-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-N,N,1-trimethylpyrazole-4-carboxamide;5-[[5-amino-1-[6-[5-amino-3-methyl-4-[[1-methyl-4-(methylcarbamoyl)pyrazol-5-yl]diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-N,1-dimethylpyrazole-4-carboxamide;methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1H-pyrazole-4-carboxylate?

1-[5-[[1-[6-[4-[(4-acetyl-1-methylpyrazol-5-yl)diazenyl]-5-amino-3-methylpyrazol-1-yl]pyrimidin-4-yl]-5-amino-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazol-4-yl]ethanone;[5-[[5-amino-1-[6-[5-amino-4-[(4-benzoyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazol-4-yl]-phenylmethanone;5-[[5-amino-1-[6-[5-amino-4-[[4-(dimethylcarbamoyl)-1-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-N,N,1-trimethylpyrazole-4-carboxamide;5-[[5-amino-1-[6-[5-amino-3-methyl-4-[[1-methyl-4-(methylcarbamoyl)pyrazol-5-yl]diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-N,1-dimethylpyrazole-4-carboxamide;methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1H-pyrazole-4-carboxylate has a molecular weight of 3086.10 g/mol, XLogP of 14.28, 42 rotatable bonds, 15 hydrogen bond donors, and 92 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[[1-[6-[4-[(4-acetyl-1-methylpyrazol-5-yl)diazenyl]-5-amino-3-methylpyrazol-1-yl]pyrimidin-4-yl]-5-amino-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazol-4-yl]ethanone;[5-[[5-amino-1-[6-[5-amino-4-[(4-benzoyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazol-4-yl]-phenylmethanone;5-[[5-amino-1-[6-[5-amino-4-[[4-(dimethylcarbamoyl)-1-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-N,N,1-trimethylpyrazole-4-carboxamide;5-[[5-amino-1-[6-[5-amino-3-methyl-4-[[1-methyl-4-(methylcarbamoyl)pyrazol-5-yl]diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-N,1-dimethylpyrazole-4-carboxamide;methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 159466094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).