4-[3-chloro-4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-5-methylphenyl]benzamide;4-[3-chloro-4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-5-methylphenyl]benzenesulfonamide;4-[4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-3,5-dimethylphenyl]-3-fluorobenzamide;5-[4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-3,5-dimethylphenyl]pyridine-2-carboxamide;4-[[6-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-7-methylpurin-2-yl]amino]benzonitrile

C134H105Cl2FN36O10S — CID 162120136

About 4-[3-chloro-4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-5-methylphenyl]benzamide;4-[3-chloro-4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-5-methylphenyl]benzenesulfonamide;4-[4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-3,5-dimethylphenyl]-3-fluorobenzamide;5-[4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-3,5-dimethylphenyl]pyridine-2-carboxamide;4-[[6-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-7-methylpurin-2-yl]amino]benzonitrile

4-[3-chloro-4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-5-methylphenyl]benzamide;4-[3-chloro-4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-5-methylphenyl]benzenesulfonamide;4-[4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-3,5-dimethylphenyl]-3-fluorobenzamide;5-[4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-3,5-dimethylphenyl]pyridine-2-carboxamide;4-[[6-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-7-methylpurin-2-yl]amino]benzonitrile (PubChem CID 162120136) has the molecular formula C134H105Cl2FN36O10S and a molecular weight of 2501.53 g/mol. Its IUPAC name is 4-[3-chloro-4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-5-methylphenyl]benzamide;4-[3-chloro-4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-5-methylphenyl]benzenesulfonamide;4-[4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-3,5-dimethylphenyl]-3-fluorobenzamide;5-[4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-3,5-dimethylphenyl]pyridine-2-carboxamide;4-[[6-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-7-methylpurin-2-yl]amino]benzonitrile.

Molecular Properties

• Compound Name: 4-[3-chloro-4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-5-methylphenyl]benzamide;4-[3-chloro-4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-5-methylphenyl]benzenesulfonamide;4-[4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-3,5-dimethylphenyl]-3-fluorobenzamide;5-[4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-3,5-dimethylphenyl]pyridine-2-carboxamide;4-[[6-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-7-methylpurin-2-yl]amino]benzonitrile
• PubChem CID: 162120136
• Molecular Formula: C134H105Cl2FN36O10S
• Molecular Weight: 2501.53 g/mol
• Exact Mass: 2498.79
• IUPAC Name: 4-[3-chloro-4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-5-methylphenyl]benzamide;4-[3-chloro-4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-5-methylphenyl]benzenesulfonamide;4-[4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-3,5-dimethylphenyl]-3-fluorobenzamide;5-[4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-3,5-dimethylphenyl]pyridine-2-carboxamide;4-[[6-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-7-methylpurin-2-yl]amino]benzonitrile
• SMILES: Cc1cc(-c2ccc(C(N)=O)cc2)cc(Cl)c1Oc1nc(Nc2ccc(C#N)cc2)nc2ncn(C)c12.Cc1cc(-c2ccc(C(N)=O)cc2F)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc2ncn(C)c12.Cc1cc(-c2ccc(C(N)=O)nc2)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc2ncn(C)c12.Cc1cc(-c2ccc(S(N)(=O)=O)cc2)cc(Cl)c1Oc1nc(Nc2ccc(C#N)cc2)nc2ncn(C)c12.Cc1cc(-c2ccncc2)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc2ncn(C)c12
• InChI: InChI=1S/C28H22FN7O2.C27H20ClN7O2.C27H22N8O2.C26H20ClN7O3S.C26H21N7O/c1-15-10-19(21-9-6-18(25(31)37)12-22(21)29)11-16(2)24(15)38-27-23-26(32-14-36(23)3)34-28(35-27)33-20-7-4-17(13-30)5-8-20;1-15-11-19(17-5-7-18(8-6-17)24(30)36)12-21(28)23(15)37-26-22-25(31-14-35(22)2)33-27(34-26)32-20-9-3-16(13-29)4-10-20;1-15-10-19(18-6-9-21(24(29)36)30-13-18)11-16(2)23(15)37-26-22-25(31-14-35(22)3)33-27(34-26)32-20-7-4-17(12-28)5-8-20;1-15-11-18(17-5-9-20(10-6-17)38(29,35)36)12-21(27)23(15)37-25-22-24(30-14-34(22)2)32-26(33-25)31-19-7-3-16(13-28)4-8-19;1-16-12-20(19-8-10-28-11-9-19)13-17(2)23(16)34-25-22-24(29-15-33(22)3)31-26(32-25)30-21-6-4-18(14-27)5-7-21/h4-12,14H,1-3H3,(H2,31,37)(H,33,34,35);3-12,14H,1-2H3,(H2,30,36)(H,32,33,34);4-11,13-14H,1-3H3,(H2,29,36)(H,32,33,34);3-12,14H,1-2H3,(H2,29,35,36)(H,31,32,33);4-13,15H,1-3H3,(H,30,31,32)
• InChIKey: ZHHLSTRDQQKWEX-UHFFFAOYSA-N
• XLogP: 25.84
• TPSA: 658.46 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 42
• Rotatable Bonds: 29
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2501.53
LogP ≤ 5	25.84
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-5-methylphenyl]benzamide;4-[3-chloro-4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-5-methylphenyl]benzenesulfonamide;4-[4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-3,5-dimethylphenyl]-3-fluorobenzamide;5-[4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-3,5-dimethylphenyl]pyridine-2-carboxamide;4-[[6-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-7-methylpurin-2-yl]amino]benzonitrile?

The IUPAC name of 4-[3-chloro-4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-5-methylphenyl]benzamide;4-[3-chloro-4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-5-methylphenyl]benzenesulfonamide;4-[4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-3,5-dimethylphenyl]-3-fluorobenzamide;5-[4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-3,5-dimethylphenyl]pyridine-2-carboxamide;4-[[6-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-7-methylpurin-2-yl]amino]benzonitrile (CID 162120136) is 4-[3-chloro-4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-5-methylphenyl]benzamide;4-[3-chloro-4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-5-methylphenyl]benzenesulfonamide;4-[4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-3,5-dimethylphenyl]-3-fluorobenzamide;5-[4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-3,5-dimethylphenyl]pyridine-2-carboxamide;4-[[6-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-7-methylpurin-2-yl]amino]benzonitrile.

What is the SMILES notation for 4-[3-chloro-4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-5-methylphenyl]benzamide;4-[3-chloro-4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-5-methylphenyl]benzenesulfonamide;4-[4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-3,5-dimethylphenyl]-3-fluorobenzamide;5-[4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-3,5-dimethylphenyl]pyridine-2-carboxamide;4-[[6-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-7-methylpurin-2-yl]amino]benzonitrile?

The canonical SMILES for 4-[3-chloro-4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-5-methylphenyl]benzamide;4-[3-chloro-4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-5-methylphenyl]benzenesulfonamide;4-[4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-3,5-dimethylphenyl]-3-fluorobenzamide;5-[4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-3,5-dimethylphenyl]pyridine-2-carboxamide;4-[[6-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-7-methylpurin-2-yl]amino]benzonitrile is Cc1cc(-c2ccc(C(N)=O)cc2)cc(Cl)c1Oc1nc(Nc2ccc(C#N)cc2)nc2ncn(C)c12.Cc1cc(-c2ccc(C(N)=O)cc2F)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc2ncn(C)c12.Cc1cc(-c2ccc(C(N)=O)nc2)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc2ncn(C)c12.Cc1cc(-c2ccc(S(N)(=O)=O)cc2)cc(Cl)c1Oc1nc(Nc2ccc(C#N)cc2)nc2ncn(C)c12.Cc1cc(-c2ccncc2)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc2ncn(C)c12.

What is the InChIKey of 4-[3-chloro-4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-5-methylphenyl]benzamide;4-[3-chloro-4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-5-methylphenyl]benzenesulfonamide;4-[4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-3,5-dimethylphenyl]-3-fluorobenzamide;5-[4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-3,5-dimethylphenyl]pyridine-2-carboxamide;4-[[6-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-7-methylpurin-2-yl]amino]benzonitrile?

The InChIKey is ZHHLSTRDQQKWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22FN7O2.C27H20ClN7O2.C27H22N8O2.C26H20ClN7O3S.C26H21N7O/c1-15-10-19(21-9-6-18(25(31)37)12-22(21)29)11-16(2)24(15)38-27-23-26(32-14-36(23)3)34-28(35-27)33-20-7-4-17(13-30)5-8-20;1-15-11-19(17-5-7-18(8-6-17)24(30)36)12-21(28)23(15)37-26-22-25(31-14-35(22)2)33-27(34-26)32-20-9-3-16(13-29)4-10-20;1-15-10-19(18-6-9-21(24(29)36)30-13-18)11-16(2)23(15)37-26-22-25(31-14-35(22)3)33-27(34-26)32-20-7-4-17(12-28)5-8-20;1-15-11-18(17-5-9-20(10-6-17)38(29,35)36)12-21(27)23(15)37-25-22-24(30-14-34(22)2)32-26(33-25)31-19-7-3-16(13-28)4-8-19;1-16-12-20(19-8-10-28-11-9-19)13-17(2)23(16)34-25-22-24(29-15-33(22)3)31-26(32-25)30-21-6-4-18(14-27)5-7-21/h4-12,14H,1-3H3,(H2,31,37)(H,33,34,35);3-12,14H,1-2H3,(H2,30,36)(H,32,33,34);4-11,13-14H,1-3H3,(H2,29,36)(H,32,33,34);3-12,14H,1-2H3,(H2,29,35,36)(H,31,32,33);4-13,15H,1-3H3,(H,30,31,32).

What are the key properties of 4-[3-chloro-4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-5-methylphenyl]benzamide;4-[3-chloro-4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-5-methylphenyl]benzenesulfonamide;4-[4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-3,5-dimethylphenyl]-3-fluorobenzamide;5-[4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-3,5-dimethylphenyl]pyridine-2-carboxamide;4-[[6-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-7-methylpurin-2-yl]amino]benzonitrile?

4-[3-chloro-4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-5-methylphenyl]benzamide;4-[3-chloro-4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-5-methylphenyl]benzenesulfonamide;4-[4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-3,5-dimethylphenyl]-3-fluorobenzamide;5-[4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-3,5-dimethylphenyl]pyridine-2-carboxamide;4-[[6-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-7-methylpurin-2-yl]amino]benzonitrile has a molecular weight of 2501.53 g/mol, XLogP of 25.84, 29 rotatable bonds, 9 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-chloro-4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-5-methylphenyl]benzamide;4-[3-chloro-4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-5-methylphenyl]benzenesulfonamide;4-[4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-3,5-dimethylphenyl]-3-fluorobenzamide;5-[4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-3,5-dimethylphenyl]pyridine-2-carboxamide;4-[[6-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-7-methylpurin-2-yl]amino]benzonitrile is sourced from PubChem (CID 162120136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).