2-[[5-amino-1-[6-[5-amino-4-[[2,6-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-(2,6-diisocyanophenyl)hydrazinyl]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

C162H226F6N44O4 — CID 158147608

About 2-[[5-amino-1-[6-[5-amino-4-[[2,6-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-(2,6-diisocyanophenyl)hydrazinyl]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

2-[[5-amino-1-[6-[5-amino-4-[[2,6-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-(2,6-diisocyanophenyl)hydrazinyl]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 158147608) has the molecular formula C162H226F6N44O4 and a molecular weight of 2967.88 g/mol. Its IUPAC name is 2-[[5-amino-1-[6-[5-amino-4-[[2,6-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-(2,6-diisocyanophenyl)hydrazinyl]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: 2-[[5-amino-1-[6-[5-amino-4-[[2,6-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-(2,6-diisocyanophenyl)hydrazinyl]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: 158147608
• Molecular Formula: C162H226F6N44O4
• Molecular Weight: 2967.88 g/mol
• Exact Mass: 2965.87
• IUPAC Name: 2-[[5-amino-1-[6-[5-amino-4-[[2,6-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-(2,6-diisocyanophenyl)hydrazinyl]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)c1cccc(C(=O)N(CC(CC)CCCC)C(CC)CCCC)c1/N=N/c1c(C(C)(C)C)nn(-c2cc(-n3nc(C(C)(C)C)c(/N=N/c4c(C(=O)N(CC(CC)CCCC)C(CC)CCCC)cccc4C(=O)N(CC(CC)CCCC)C(CC)CCCC)c3N)ncn2)c1N)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-])c1NNc1c(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.C34H32N16/c1-23-39-49-67(31-9)62-105(71(35-13)53-43-27-5)89(111)75-57-47-58-76(90(112)106(72(36-14)54-44-28-6)63-68(32-10)50-40-24-2)81(75)99-101-83-85(93(17,18)19)103-109(87(83)95)79-61-80(98-66-97-79)110-88(96)84(86(104-110)94(20,21)22)102-100-82-77(91(113)107(73(37-15)55-45-29-7)64-69(33-11)51-41-25-3)59-48-60-78(82)92(114)108(74(38-16)56-46-30-8)65-70(34-12)52-42-26-4;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/h47-48,57-61,66-74H,23-46,49-56,62-65,95-96H2,1-22H3;9-16H,41-42H2,1-8H3;9-15,18,44,46H,37-38H2,1-6H3/b101-99+,102-100+;47-45+,48-46+;45-43+
• InChIKey: FURZETLMDMMDIW-JQCGBAQMSA-N
• XLogP: 43.35
• TPSA: 625.58 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 42
• Rotatable Bonds: 67
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2967.88
LogP ≤ 5	43.35
H-Bond Donors ≤ 5	8
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[5-amino-1-[6-[5-amino-4-[[2,6-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-(2,6-diisocyanophenyl)hydrazinyl]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 2-[[5-amino-1-[6-[5-amino-4-[[2,6-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-(2,6-diisocyanophenyl)hydrazinyl]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 158147608) is 2-[[5-amino-1-[6-[5-amino-4-[[2,6-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-(2,6-diisocyanophenyl)hydrazinyl]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 2-[[5-amino-1-[6-[5-amino-4-[[2,6-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-(2,6-diisocyanophenyl)hydrazinyl]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 2-[[5-amino-1-[6-[5-amino-4-[[2,6-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-(2,6-diisocyanophenyl)hydrazinyl]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)c1cccc(C(=O)N(CC(CC)CCCC)C(CC)CCCC)c1/N=N/c1c(C(C)(C)C)nn(-c2cc(-n3nc(C(C)(C)C)c(/N=N/c4c(C(=O)N(CC(CC)CCCC)C(CC)CCCC)cccc4C(=O)N(CC(CC)CCCC)C(CC)CCCC)c3N)ncn2)c1N)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-])c1NNc1c(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 2-[[5-amino-1-[6-[5-amino-4-[[2,6-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-(2,6-diisocyanophenyl)hydrazinyl]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 FURZETLMDMMDIW-JQCGBAQMSA-N. The full InChI is InChI=1S/C94H158N16O4.C34H36F6N12.C34H32N16/c1-23-39-49-67(31-9)62-105(71(35-13)53-43-27-5)89(111)75-57-47-58-76(90(112)106(72(36-14)54-44-28-6)63-68(32-10)50-40-24-2)81(75)99-101-83-85(93(17,18)19)103-109(87(83)95)79-61-80(98-66-97-79)110-88(96)84(86(104-110)94(20,21)22)102-100-82-77(91(113)107(73(37-15)55-45-29-7)64-69(33-11)51-41-25-3)59-48-60-78(82)92(114)108(74(38-16)56-46-30-8)65-70(34-12)52-42-26-4;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/h47-48,57-61,66-74H,23-46,49-56,62-65,95-96H2,1-22H3;9-16H,41-42H2,1-8H3;9-15,18,44,46H,37-38H2,1-6H3/b101-99+,102-100+;47-45+,48-46+;45-43+.

What are the key properties of 2-[[5-amino-1-[6-[5-amino-4-[[2,6-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-(2,6-diisocyanophenyl)hydrazinyl]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?

2-[[5-amino-1-[6-[5-amino-4-[[2,6-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-(2,6-diisocyanophenyl)hydrazinyl]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 2967.88 g/mol, XLogP of 43.35, 67 rotatable bonds, 8 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-amino-1-[6-[5-amino-4-[[2,6-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-(2,6-diisocyanophenyl)hydrazinyl]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 158147608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).