3-[[6-(4-aminophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[6-(3-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[6-(4-hydroxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;4-methyl-3-[[1-methyl-6-(1H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;2-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone

C132H103ClF15N33O6 — CID 159875600

About 3-[[6-(4-aminophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[6-(3-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[6-(4-hydroxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;4-methyl-3-[[1-methyl-6-(1H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;2-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone

3-[[6-(4-aminophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[6-(3-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[6-(4-hydroxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;4-methyl-3-[[1-methyl-6-(1H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;2-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 159875600) has the molecular formula C132H103ClF15N33O6 and a molecular weight of 2567.92 g/mol. Its IUPAC name is 3-[[6-(4-aminophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[6-(3-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[6-(4-hydroxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;4-methyl-3-[[1-methyl-6-(1H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;2-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

• Compound Name: 3-[[6-(4-aminophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[6-(3-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[6-(4-hydroxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;4-methyl-3-[[1-methyl-6-(1H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;2-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone
• PubChem CID: 159875600
• Molecular Formula: C132H103ClF15N33O6
• Molecular Weight: 2567.92 g/mol
• Exact Mass: 2565.82
• IUPAC Name: 3-[[6-(4-aminophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[6-(3-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[6-(4-hydroxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;4-methyl-3-[[1-methyl-6-(1H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;2-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone
• SMILES: Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2ccc(N)cc2)nc2c1cnn2C.Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2ccc(O)cc2)nc2c1cnn2C.Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccc(Cl)c2)nc2c1cnn2C.Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cn[nH]c2)nc2c1cnn2C.Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
• InChI: InChI=1S/C27H20ClF3N6O.C27H22F3N7O.C27H21F3N6O2.C27H21F3N6O.C24H19F3N8O/c1-15-9-10-17(26(38)33-20-8-4-6-18(13-20)27(29,30)31)12-22(15)34-24-21-14-32-37(2)25(21)36-23(35-24)16-5-3-7-19(28)11-16;1-15-6-7-17(26(38)33-20-5-3-4-18(13-20)27(28,29)30)12-22(15)34-24-21-14-32-37(2)25(21)36-23(35-24)16-8-10-19(31)11-9-16;1-15-6-7-17(26(38)32-19-5-3-4-18(13-19)27(28,29)30)12-22(15)33-24-21-14-31-36(2)25(21)35-23(34-24)16-8-10-20(37)11-9-16;1-16-8-9-17(12-23(37)18-5-3-7-20(13-18)27(28,29)30)11-22(16)33-25-21-15-32-36(2)26(21)35-24(34-25)19-6-4-10-31-14-19;1-13-6-7-14(23(36)31-17-5-3-4-16(9-17)24(25,26)27)8-19(13)32-21-18-12-30-35(2)22(18)34-20(33-21)15-10-28-29-11-15/h3-14H,1-2H3,(H,33,38)(H,34,35,36);3-14H,31H2,1-2H3,(H,33,38)(H,34,35,36);3-14,37H,1-2H3,(H,32,38)(H,33,34,35);3-11,13-15H,12H2,1-2H3,(H,33,34,35);3-12H,1-2H3,(H,28,29)(H,31,36)(H,32,33,34)
• InChIKey: NSWDEDHIEICDOZ-UHFFFAOYSA-N
• XLogP: 30.00
• TPSA: 499.44 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 34
• Rotatable Bonds: 26
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2567.92
LogP ≤ 5	30.00
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(4-aminophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[6-(3-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[6-(4-hydroxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;4-methyl-3-[[1-methyl-6-(1H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;2-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone?

The IUPAC name of 3-[[6-(4-aminophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[6-(3-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[6-(4-hydroxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;4-methyl-3-[[1-methyl-6-(1H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;2-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone (CID 159875600) is 3-[[6-(4-aminophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[6-(3-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[6-(4-hydroxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;4-methyl-3-[[1-methyl-6-(1H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;2-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone.

What is the SMILES notation for 3-[[6-(4-aminophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[6-(3-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[6-(4-hydroxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;4-methyl-3-[[1-methyl-6-(1H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;2-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone?

The canonical SMILES for 3-[[6-(4-aminophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[6-(3-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[6-(4-hydroxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;4-methyl-3-[[1-methyl-6-(1H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;2-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone is Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2ccc(N)cc2)nc2c1cnn2C.Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2ccc(O)cc2)nc2c1cnn2C.Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccc(Cl)c2)nc2c1cnn2C.Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cn[nH]c2)nc2c1cnn2C.Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C.

What is the InChIKey of 3-[[6-(4-aminophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[6-(3-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[6-(4-hydroxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;4-methyl-3-[[1-methyl-6-(1H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;2-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone?

The InChIKey is NSWDEDHIEICDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClF3N6O.C27H22F3N7O.C27H21F3N6O2.C27H21F3N6O.C24H19F3N8O/c1-15-9-10-17(26(38)33-20-8-4-6-18(13-20)27(29,30)31)12-22(15)34-24-21-14-32-37(2)25(21)36-23(35-24)16-5-3-7-19(28)11-16;1-15-6-7-17(26(38)33-20-5-3-4-18(13-20)27(28,29)30)12-22(15)34-24-21-14-32-37(2)25(21)36-23(35-24)16-8-10-19(31)11-9-16;1-15-6-7-17(26(38)32-19-5-3-4-18(13-19)27(28,29)30)12-22(15)33-24-21-14-31-36(2)25(21)35-23(34-24)16-8-10-20(37)11-9-16;1-16-8-9-17(12-23(37)18-5-3-7-20(13-18)27(28,29)30)11-22(16)33-25-21-15-32-36(2)26(21)35-24(34-25)19-6-4-10-31-14-19;1-13-6-7-14(23(36)31-17-5-3-4-16(9-17)24(25,26)27)8-19(13)32-21-18-12-30-35(2)22(18)34-20(33-21)15-10-28-29-11-15/h3-14H,1-2H3,(H,33,38)(H,34,35,36);3-14H,31H2,1-2H3,(H,33,38)(H,34,35,36);3-14,37H,1-2H3,(H,32,38)(H,33,34,35);3-11,13-15H,12H2,1-2H3,(H,33,34,35);3-12H,1-2H3,(H,28,29)(H,31,36)(H,32,33,34).

What are the key properties of 3-[[6-(4-aminophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[6-(3-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[6-(4-hydroxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;4-methyl-3-[[1-methyl-6-(1H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;2-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone?

3-[[6-(4-aminophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[6-(3-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[6-(4-hydroxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;4-methyl-3-[[1-methyl-6-(1H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;2-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 2567.92 g/mol, XLogP of 30.00, 26 rotatable bonds, 12 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[6-(4-aminophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[6-(3-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[6-(4-hydroxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;4-methyl-3-[[1-methyl-6-(1H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;2-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 159875600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).