5-[[5-amino-1-[6-[5-amino-4-[[3,5-bis[2-ethylhexyl(heptan-3-yl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,3-N-bis(2-ethylhexyl)-1-N,3-N-di(heptan-3-yl)benzene-1,3-dicarboxamide;2-[[5-amino-1-[6-[5-amino-3-tert-butyl-4-[(2,6-diisocyanophenyl)diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]benzene-1,3-dicarbonitrile;1-[6-[5-amino-4-[[2,6-bis(trifluoromethyl)phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butyl-4-[(2,6-dimethylphenyl)diazenyl]pyrazol-5-amine

C162H224F6N44O4 — CID 161386128

About 5-[[5-amino-1-[6-[5-amino-4-[[3,5-bis[2-ethylhexyl(heptan-3-yl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,3-N-bis(2-ethylhexyl)-1-N,3-N-di(heptan-3-yl)benzene-1,3-dicarboxamide;2-[[5-amino-1-[6-[5-amino-3-tert-butyl-4-[(2,6-diisocyanophenyl)diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]benzene-1,3-dicarbonitrile;1-[6-[5-amino-4-[[2,6-bis(trifluoromethyl)phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butyl-4-[(2,6-dimethylphenyl)diazenyl]pyrazol-5-amine

5-[[5-amino-1-[6-[5-amino-4-[[3,5-bis[2-ethylhexyl(heptan-3-yl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,3-N-bis(2-ethylhexyl)-1-N,3-N-di(heptan-3-yl)benzene-1,3-dicarboxamide;2-[[5-amino-1-[6-[5-amino-3-tert-butyl-4-[(2,6-diisocyanophenyl)diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]benzene-1,3-dicarbonitrile;1-[6-[5-amino-4-[[2,6-bis(trifluoromethyl)phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butyl-4-[(2,6-dimethylphenyl)diazenyl]pyrazol-5-amine (PubChem CID 161386128) has the molecular formula C162H224F6N44O4 and a molecular weight of 2965.87 g/mol. Its IUPAC name is 5-[[5-amino-1-[6-[5-amino-4-[[3,5-bis[2-ethylhexyl(heptan-3-yl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,3-N-bis(2-ethylhexyl)-1-N,3-N-di(heptan-3-yl)benzene-1,3-dicarboxamide;2-[[5-amino-1-[6-[5-amino-3-tert-butyl-4-[(2,6-diisocyanophenyl)diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]benzene-1,3-dicarbonitrile;1-[6-[5-amino-4-[[2,6-bis(trifluoromethyl)phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butyl-4-[(2,6-dimethylphenyl)diazenyl]pyrazol-5-amine.

Molecular Properties

• Compound Name: 5-[[5-amino-1-[6-[5-amino-4-[[3,5-bis[2-ethylhexyl(heptan-3-yl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,3-N-bis(2-ethylhexyl)-1-N,3-N-di(heptan-3-yl)benzene-1,3-dicarboxamide;2-[[5-amino-1-[6-[5-amino-3-tert-butyl-4-[(2,6-diisocyanophenyl)diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]benzene-1,3-dicarbonitrile;1-[6-[5-amino-4-[[2,6-bis(trifluoromethyl)phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butyl-4-[(2,6-dimethylphenyl)diazenyl]pyrazol-5-amine
• PubChem CID: 161386128
• Molecular Formula: C162H224F6N44O4
• Molecular Weight: 2965.87 g/mol
• Exact Mass: 2963.86
• IUPAC Name: 5-[[5-amino-1-[6-[5-amino-4-[[3,5-bis[2-ethylhexyl(heptan-3-yl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,3-N-bis(2-ethylhexyl)-1-N,3-N-di(heptan-3-yl)benzene-1,3-dicarboxamide;2-[[5-amino-1-[6-[5-amino-3-tert-butyl-4-[(2,6-diisocyanophenyl)diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]benzene-1,3-dicarbonitrile;1-[6-[5-amino-4-[[2,6-bis(trifluoromethyl)phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butyl-4-[(2,6-dimethylphenyl)diazenyl]pyrazol-5-amine
• SMILES: CCCCC(CC)CN(C(=O)c1cc(/N=N/c2c(C(C)(C)C)nn(-c3cc(-n4nc(C(C)(C)C)c(/N=N/c5cc(C(=O)N(CC(CC)CCCC)C(CC)CCCC)cc(C(=O)N(CC(CC)CCCC)C(CC)CCCC)c5)c4N)ncn3)c2N)cc(C(=O)N(CC(CC)CCCC)C(CC)CCCC)c1)C(CC)CCCC.Cc1cccc(C)c1/N=N/c1c(C(C)(C)C)nn(-c2cc(-n3nc(C(C)(C)C)c(/N=N/c4c(C(F)(F)F)cccc4C(F)(F)F)c3N)ncn2)c1N.[C-]#[N+]c1cccc([N+]#[C-])c1/N=N/c1c(C(C)(C)C)nn(-c2cc(-n3nc(C(C)(C)C)c(/N=N/c4c(C#N)cccc4C#N)c3N)ncn2)c1N
• InChI: InChI=1S/C94H158N16O4.C34H36F6N12.C34H30N16/c1-23-39-47-67(31-9)62-105(77(35-13)51-43-27-5)89(111)71-55-72(90(112)106(78(36-14)52-44-28-6)63-68(32-10)48-40-24-2)58-75(57-71)99-101-83-85(93(17,18)19)103-109(87(83)95)81-61-82(98-66-97-81)110-88(96)84(86(104-110)94(20,21)22)102-100-76-59-73(91(113)107(79(37-15)53-45-29-7)64-69(33-11)49-41-25-3)56-74(60-76)92(114)108(80(38-16)54-46-30-8)65-70(34-12)50-42-26-4;1-17-11-9-12-18(2)23(17)45-47-25-27(31(3,4)5)49-51(29(25)41)21-15-22(44-16-43-21)52-30(42)26(28(50-52)32(6,7)8)48-46-24-19(33(35,36)37)13-10-14-20(24)34(38,39)40;1-33(2,3)29-27(45-43-25-19(16-35)11-9-12-20(25)17-36)31(37)49(47-29)23-15-24(42-18-41-23)50-32(38)28(30(48-50)34(4,5)6)46-44-26-21(39-7)13-10-14-22(26)40-8/h55-61,66-70,77-80H,23-54,62-65,95-96H2,1-22H3;9-16H,41-42H2,1-8H3;9-15,18H,37-38H2,1-6H3/b101-99+,102-100+;47-45+,48-46+;45-43+,46-44+
• InChIKey: VSJHYUOBELHSSU-RDQOMPKNSA-N
• XLogP: 44.32
• TPSA: 626.24 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 42
• Rotatable Bonds: 66
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2965.87
LogP ≤ 5	44.32
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', '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 5-[[5-amino-1-[6-[5-amino-4-[[3,5-bis[2-ethylhexyl(heptan-3-yl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,3-N-bis(2-ethylhexyl)-1-N,3-N-di(heptan-3-yl)benzene-1,3-dicarboxamide;2-[[5-amino-1-[6-[5-amino-3-tert-butyl-4-[(2,6-diisocyanophenyl)diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]benzene-1,3-dicarbonitrile;1-[6-[5-amino-4-[[2,6-bis(trifluoromethyl)phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butyl-4-[(2,6-dimethylphenyl)diazenyl]pyrazol-5-amine?

The IUPAC name of 5-[[5-amino-1-[6-[5-amino-4-[[3,5-bis[2-ethylhexyl(heptan-3-yl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,3-N-bis(2-ethylhexyl)-1-N,3-N-di(heptan-3-yl)benzene-1,3-dicarboxamide;2-[[5-amino-1-[6-[5-amino-3-tert-butyl-4-[(2,6-diisocyanophenyl)diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]benzene-1,3-dicarbonitrile;1-[6-[5-amino-4-[[2,6-bis(trifluoromethyl)phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butyl-4-[(2,6-dimethylphenyl)diazenyl]pyrazol-5-amine (CID 161386128) is 5-[[5-amino-1-[6-[5-amino-4-[[3,5-bis[2-ethylhexyl(heptan-3-yl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,3-N-bis(2-ethylhexyl)-1-N,3-N-di(heptan-3-yl)benzene-1,3-dicarboxamide;2-[[5-amino-1-[6-[5-amino-3-tert-butyl-4-[(2,6-diisocyanophenyl)diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]benzene-1,3-dicarbonitrile;1-[6-[5-amino-4-[[2,6-bis(trifluoromethyl)phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butyl-4-[(2,6-dimethylphenyl)diazenyl]pyrazol-5-amine.

What is the SMILES notation for 5-[[5-amino-1-[6-[5-amino-4-[[3,5-bis[2-ethylhexyl(heptan-3-yl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,3-N-bis(2-ethylhexyl)-1-N,3-N-di(heptan-3-yl)benzene-1,3-dicarboxamide;2-[[5-amino-1-[6-[5-amino-3-tert-butyl-4-[(2,6-diisocyanophenyl)diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]benzene-1,3-dicarbonitrile;1-[6-[5-amino-4-[[2,6-bis(trifluoromethyl)phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butyl-4-[(2,6-dimethylphenyl)diazenyl]pyrazol-5-amine?

The canonical SMILES for 5-[[5-amino-1-[6-[5-amino-4-[[3,5-bis[2-ethylhexyl(heptan-3-yl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,3-N-bis(2-ethylhexyl)-1-N,3-N-di(heptan-3-yl)benzene-1,3-dicarboxamide;2-[[5-amino-1-[6-[5-amino-3-tert-butyl-4-[(2,6-diisocyanophenyl)diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]benzene-1,3-dicarbonitrile;1-[6-[5-amino-4-[[2,6-bis(trifluoromethyl)phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butyl-4-[(2,6-dimethylphenyl)diazenyl]pyrazol-5-amine is CCCCC(CC)CN(C(=O)c1cc(/N=N/c2c(C(C)(C)C)nn(-c3cc(-n4nc(C(C)(C)C)c(/N=N/c5cc(C(=O)N(CC(CC)CCCC)C(CC)CCCC)cc(C(=O)N(CC(CC)CCCC)C(CC)CCCC)c5)c4N)ncn3)c2N)cc(C(=O)N(CC(CC)CCCC)C(CC)CCCC)c1)C(CC)CCCC.Cc1cccc(C)c1/N=N/c1c(C(C)(C)C)nn(-c2cc(-n3nc(C(C)(C)C)c(/N=N/c4c(C(F)(F)F)cccc4C(F)(F)F)c3N)ncn2)c1N.[C-]#[N+]c1cccc([N+]#[C-])c1/N=N/c1c(C(C)(C)C)nn(-c2cc(-n3nc(C(C)(C)C)c(/N=N/c4c(C#N)cccc4C#N)c3N)ncn2)c1N.

What is the InChIKey of 5-[[5-amino-1-[6-[5-amino-4-[[3,5-bis[2-ethylhexyl(heptan-3-yl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,3-N-bis(2-ethylhexyl)-1-N,3-N-di(heptan-3-yl)benzene-1,3-dicarboxamide;2-[[5-amino-1-[6-[5-amino-3-tert-butyl-4-[(2,6-diisocyanophenyl)diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]benzene-1,3-dicarbonitrile;1-[6-[5-amino-4-[[2,6-bis(trifluoromethyl)phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butyl-4-[(2,6-dimethylphenyl)diazenyl]pyrazol-5-amine?

The InChIKey is VSJHYUOBELHSSU-RDQOMPKNSA-N. The full InChI is InChI=1S/C94H158N16O4.C34H36F6N12.C34H30N16/c1-23-39-47-67(31-9)62-105(77(35-13)51-43-27-5)89(111)71-55-72(90(112)106(78(36-14)52-44-28-6)63-68(32-10)48-40-24-2)58-75(57-71)99-101-83-85(93(17,18)19)103-109(87(83)95)81-61-82(98-66-97-81)110-88(96)84(86(104-110)94(20,21)22)102-100-76-59-73(91(113)107(79(37-15)53-45-29-7)64-69(33-11)49-41-25-3)56-74(60-76)92(114)108(80(38-16)54-46-30-8)65-70(34-12)50-42-26-4;1-17-11-9-12-18(2)23(17)45-47-25-27(31(3,4)5)49-51(29(25)41)21-15-22(44-16-43-21)52-30(42)26(28(50-52)32(6,7)8)48-46-24-19(33(35,36)37)13-10-14-20(24)34(38,39)40;1-33(2,3)29-27(45-43-25-19(16-35)11-9-12-20(25)17-36)31(37)49(47-29)23-15-24(42-18-41-23)50-32(38)28(30(48-50)34(4,5)6)46-44-26-21(39-7)13-10-14-22(26)40-8/h55-61,66-70,77-80H,23-54,62-65,95-96H2,1-22H3;9-16H,41-42H2,1-8H3;9-15,18H,37-38H2,1-6H3/b101-99+,102-100+;47-45+,48-46+;45-43+,46-44+.

What are the key properties of 5-[[5-amino-1-[6-[5-amino-4-[[3,5-bis[2-ethylhexyl(heptan-3-yl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,3-N-bis(2-ethylhexyl)-1-N,3-N-di(heptan-3-yl)benzene-1,3-dicarboxamide;2-[[5-amino-1-[6-[5-amino-3-tert-butyl-4-[(2,6-diisocyanophenyl)diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]benzene-1,3-dicarbonitrile;1-[6-[5-amino-4-[[2,6-bis(trifluoromethyl)phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butyl-4-[(2,6-dimethylphenyl)diazenyl]pyrazol-5-amine?

5-[[5-amino-1-[6-[5-amino-4-[[3,5-bis[2-ethylhexyl(heptan-3-yl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,3-N-bis(2-ethylhexyl)-1-N,3-N-di(heptan-3-yl)benzene-1,3-dicarboxamide;2-[[5-amino-1-[6-[5-amino-3-tert-butyl-4-[(2,6-diisocyanophenyl)diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]benzene-1,3-dicarbonitrile;1-[6-[5-amino-4-[[2,6-bis(trifluoromethyl)phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butyl-4-[(2,6-dimethylphenyl)diazenyl]pyrazol-5-amine has a molecular weight of 2965.87 g/mol, XLogP of 44.32, 66 rotatable bonds, 6 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-amino-1-[6-[5-amino-4-[[3,5-bis[2-ethylhexyl(heptan-3-yl)carbamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-1-N,3-N-bis(2-ethylhexyl)-1-N,3-N-di(heptan-3-yl)benzene-1,3-dicarboxamide;2-[[5-amino-1-[6-[5-amino-3-tert-butyl-4-[(2,6-diisocyanophenyl)diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]benzene-1,3-dicarbonitrile;1-[6-[5-amino-4-[[2,6-bis(trifluoromethyl)phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]pyrimidin-4-yl]-3-tert-butyl-4-[(2,6-dimethylphenyl)diazenyl]pyrazol-5-amine is sourced from PubChem (CID 161386128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).