methyl 5-[[5-amino-1-[6-[5-amino-4-[[1-(1,3-benzothiazol-2-yl)-4-methoxycarbonylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(1,3-benzothiazol-2-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-methoxycarbonyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-methoxycarbonyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyrazin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrazin-2-ylpyrazole-4-carboxylate

C122H106N78O16S6 — CID 158981536

About methyl 5-[[5-amino-1-[6-[5-amino-4-[[1-(1,3-benzothiazol-2-yl)-4-methoxycarbonylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(1,3-benzothiazol-2-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-methoxycarbonyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-methoxycarbonyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyrazin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrazin-2-ylpyrazole-4-carboxylate

methyl 5-[[5-amino-1-[6-[5-amino-4-[[1-(1,3-benzothiazol-2-yl)-4-methoxycarbonylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(1,3-benzothiazol-2-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-methoxycarbonyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-methoxycarbonyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyrazin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrazin-2-ylpyrazole-4-carboxylate (PubChem CID 158981536) has the molecular formula C122H106N78O16S6 and a molecular weight of 3113.12 g/mol. Its IUPAC name is methyl 5-[[5-amino-1-[6-[5-amino-4-[[1-(1,3-benzothiazol-2-yl)-4-methoxycarbonylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(1,3-benzothiazol-2-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-methoxycarbonyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-methoxycarbonyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyrazin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrazin-2-ylpyrazole-4-carboxylate.

Molecular Properties

• Compound Name: methyl 5-[[5-amino-1-[6-[5-amino-4-[[1-(1,3-benzothiazol-2-yl)-4-methoxycarbonylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(1,3-benzothiazol-2-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-methoxycarbonyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-methoxycarbonyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyrazin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrazin-2-ylpyrazole-4-carboxylate
• PubChem CID: 158981536
• Molecular Formula: C122H106N78O16S6
• Molecular Weight: 3113.12 g/mol
• Exact Mass: 3110.82
• IUPAC Name: methyl 5-[[5-amino-1-[6-[5-amino-4-[[1-(1,3-benzothiazol-2-yl)-4-methoxycarbonylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(1,3-benzothiazol-2-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-methoxycarbonyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-methoxycarbonyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyrazin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrazin-2-ylpyrazole-4-carboxylate
• SMILES: COC(=O)c1cnn(-c2cnccn2)c1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4c(C(=O)OC)cnn4-c4cnccn4)c3N)ncn2)c1N.COC(=O)c1cnn(-c2nc(C)ns2)c1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4c(C(=O)OC)cnn4-c4nc(C)ns4)c3N)ncn2)c1N.COC(=O)c1cnn(-c2nc3ccccc3s2)c1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4c(C(=O)OC)cnn4-c4nc5ccccc5s4)c3N)ncn2)c1N.COC(=O)c1cnn(-c2nnc(C)s2)c1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4c(C(=O)OC)cnn4-c4nnc(C)s4)c3N)ncn2)c1N
• InChI: InChI=1S/C36H28N18O4S2.C30H26N20O4.2C28H26N20O4S2/c1-17-27(45-47-31-19(33(55)57-3)14-41-53(31)35-43-21-9-5-7-11-23(21)59-35)29(37)51(49-17)25-13-26(40-16-39-25)52-30(38)28(18(2)50-52)46-48-32-20(34(56)58-4)15-42-54(32)36-44-22-10-6-8-12-24(22)60-36;1-15-23(41-43-27-17(29(51)53-3)10-39-49(27)21-12-33-5-7-35-21)25(31)47(45-15)19-9-20(38-14-37-19)48-26(32)24(16(2)46-48)42-44-28-18(30(52)54-4)11-40-50(28)22-13-34-6-8-36-22;1-11-19(37-39-23-15(25(49)51-5)8-33-47(23)27-41-35-13(3)53-27)21(29)45(43-11)17-7-18(32-10-31-17)46-22(30)20(12(2)44-46)38-40-24-16(26(50)52-6)9-34-48(24)28-42-36-14(4)54-28;1-11-19(37-39-23-15(25(49)51-5)8-33-47(23)27-35-13(3)43-53-27)21(29)45(41-11)17-7-18(32-10-31-17)46-22(30)20(12(2)42-46)38-40-24-16(26(50)52-6)9-34-48(24)28-36-14(4)44-54-28/h5-16H,37-38H2,1-4H3;5-14H,31-32H2,1-4H3;2*7-10H,29-30H2,1-6H3/b47-45+,48-46+;43-41+,44-42+;2*39-37+,40-38+
• InChIKey: JPBIJEBRDNAWHH-ROQDRCHNSA-N
• XLogP: 17.06
• TPSA: 1185.02 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 100
• Rotatable Bonds: 40
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3113.12
LogP ≤ 5	17.06
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	100

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[5-amino-1-[6-[5-amino-4-[[1-(1,3-benzothiazol-2-yl)-4-methoxycarbonylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(1,3-benzothiazol-2-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-methoxycarbonyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-methoxycarbonyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyrazin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrazin-2-ylpyrazole-4-carboxylate?

The IUPAC name of methyl 5-[[5-amino-1-[6-[5-amino-4-[[1-(1,3-benzothiazol-2-yl)-4-methoxycarbonylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(1,3-benzothiazol-2-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-methoxycarbonyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-methoxycarbonyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyrazin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrazin-2-ylpyrazole-4-carboxylate (CID 158981536) is methyl 5-[[5-amino-1-[6-[5-amino-4-[[1-(1,3-benzothiazol-2-yl)-4-methoxycarbonylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(1,3-benzothiazol-2-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-methoxycarbonyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-methoxycarbonyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyrazin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrazin-2-ylpyrazole-4-carboxylate.

What is the SMILES notation for methyl 5-[[5-amino-1-[6-[5-amino-4-[[1-(1,3-benzothiazol-2-yl)-4-methoxycarbonylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(1,3-benzothiazol-2-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-methoxycarbonyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-methoxycarbonyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyrazin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrazin-2-ylpyrazole-4-carboxylate?

The canonical SMILES for methyl 5-[[5-amino-1-[6-[5-amino-4-[[1-(1,3-benzothiazol-2-yl)-4-methoxycarbonylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(1,3-benzothiazol-2-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-methoxycarbonyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-methoxycarbonyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyrazin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrazin-2-ylpyrazole-4-carboxylate is COC(=O)c1cnn(-c2cnccn2)c1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4c(C(=O)OC)cnn4-c4cnccn4)c3N)ncn2)c1N.COC(=O)c1cnn(-c2nc(C)ns2)c1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4c(C(=O)OC)cnn4-c4nc(C)ns4)c3N)ncn2)c1N.COC(=O)c1cnn(-c2nc3ccccc3s2)c1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4c(C(=O)OC)cnn4-c4nc5ccccc5s4)c3N)ncn2)c1N.COC(=O)c1cnn(-c2nnc(C)s2)c1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4c(C(=O)OC)cnn4-c4nnc(C)s4)c3N)ncn2)c1N.

What is the InChIKey of methyl 5-[[5-amino-1-[6-[5-amino-4-[[1-(1,3-benzothiazol-2-yl)-4-methoxycarbonylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(1,3-benzothiazol-2-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-methoxycarbonyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-methoxycarbonyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyrazin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrazin-2-ylpyrazole-4-carboxylate?

The InChIKey is JPBIJEBRDNAWHH-ROQDRCHNSA-N. The full InChI is InChI=1S/C36H28N18O4S2.C30H26N20O4.2C28H26N20O4S2/c1-17-27(45-47-31-19(33(55)57-3)14-41-53(31)35-43-21-9-5-7-11-23(21)59-35)29(37)51(49-17)25-13-26(40-16-39-25)52-30(38)28(18(2)50-52)46-48-32-20(34(56)58-4)15-42-54(32)36-44-22-10-6-8-12-24(22)60-36;1-15-23(41-43-27-17(29(51)53-3)10-39-49(27)21-12-33-5-7-35-21)25(31)47(45-15)19-9-20(38-14-37-19)48-26(32)24(16(2)46-48)42-44-28-18(30(52)54-4)11-40-50(28)22-13-34-6-8-36-22;1-11-19(37-39-23-15(25(49)51-5)8-33-47(23)27-41-35-13(3)53-27)21(29)45(43-11)17-7-18(32-10-31-17)46-22(30)20(12(2)44-46)38-40-24-16(26(50)52-6)9-34-48(24)28-42-36-14(4)54-28;1-11-19(37-39-23-15(25(49)51-5)8-33-47(23)27-35-13(3)43-53-27)21(29)45(41-11)17-7-18(32-10-31-17)46-22(30)20(12(2)42-46)38-40-24-16(26(50)52-6)9-34-48(24)28-36-14(4)44-54-28/h5-16H,37-38H2,1-4H3;5-14H,31-32H2,1-4H3;2*7-10H,29-30H2,1-6H3/b47-45+,48-46+;43-41+,44-42+;2*39-37+,40-38+.

What are the key properties of methyl 5-[[5-amino-1-[6-[5-amino-4-[[1-(1,3-benzothiazol-2-yl)-4-methoxycarbonylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(1,3-benzothiazol-2-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-methoxycarbonyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-methoxycarbonyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyrazin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrazin-2-ylpyrazole-4-carboxylate?

methyl 5-[[5-amino-1-[6-[5-amino-4-[[1-(1,3-benzothiazol-2-yl)-4-methoxycarbonylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(1,3-benzothiazol-2-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-methoxycarbonyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-methoxycarbonyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyrazin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrazin-2-ylpyrazole-4-carboxylate has a molecular weight of 3113.12 g/mol, XLogP of 17.06, 40 rotatable bonds, 8 hydrogen bond donors, and 100 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-[[5-amino-1-[6-[5-amino-4-[[1-(1,3-benzothiazol-2-yl)-4-methoxycarbonylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(1,3-benzothiazol-2-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-methoxycarbonyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-methoxycarbonyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[(4-methoxycarbonyl-1-pyrazin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-pyrazin-2-ylpyrazole-4-carboxylate is sourced from PubChem (CID 158981536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).