2-(3-chlorophenyl)-1-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]ethanone;2-(3-chlorophenyl)-1-[4-methyl-3-[(2-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]ethanone;1-[4-methyl-3-[(1-methyl-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[(2-methyl-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[(1-methyl-6-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone

C130H102Cl2F9N33O5 — CID 164949924

About 2-(3-chlorophenyl)-1-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]ethanone;2-(3-chlorophenyl)-1-[4-methyl-3-[(2-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]ethanone;1-[4-methyl-3-[(1-methyl-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[(2-methyl-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[(1-methyl-6-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone

2-(3-chlorophenyl)-1-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]ethanone;2-(3-chlorophenyl)-1-[4-methyl-3-[(2-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]ethanone;1-[4-methyl-3-[(1-methyl-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[(2-methyl-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[(1-methyl-6-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 164949924) has the molecular formula C130H102Cl2F9N33O5 and a molecular weight of 2448.36 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]ethanone;2-(3-chlorophenyl)-1-[4-methyl-3-[(2-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]ethanone;1-[4-methyl-3-[(1-methyl-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[(2-methyl-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[(1-methyl-6-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

• Compound Name: 2-(3-chlorophenyl)-1-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]ethanone;2-(3-chlorophenyl)-1-[4-methyl-3-[(2-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]ethanone;1-[4-methyl-3-[(1-methyl-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[(2-methyl-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[(1-methyl-6-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
• PubChem CID: 164949924
• Molecular Formula: C130H102Cl2F9N33O5
• Molecular Weight: 2448.36 g/mol
• Exact Mass: 2445.80
• IUPAC Name: 2-(3-chlorophenyl)-1-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]ethanone;2-(3-chlorophenyl)-1-[4-methyl-3-[(2-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]ethanone;1-[4-methyl-3-[(1-methyl-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[(2-methyl-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[(1-methyl-6-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
• SMILES: Cc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cnccn2)nc2c1cnn2C.Cc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cnccn2)nc2nn(C)cc12.Cc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cncnc2)nc2c1cnn2C.Cc1ccc(C(=O)Cc2cccc(Cl)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C.Cc1ccc(C(=O)Cc2cccc(Cl)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
• InChI: InChI=1S/2C26H21ClN6O.3C26H20F3N7O/c1-16-8-9-18(23(34)12-17-5-3-7-20(27)11-17)13-22(16)29-25-21-15-33(2)32-26(21)31-24(30-25)19-6-4-10-28-14-19;1-16-8-9-18(23(34)12-17-5-3-7-20(27)11-17)13-22(16)30-25-21-15-29-33(2)26(21)32-24(31-25)19-6-4-10-28-14-19;1-15-6-7-17(22(37)9-16-4-3-5-19(8-16)26(27,28)29)10-21(15)33-24-20-13-32-36(2)25(20)35-23(34-24)18-11-30-14-31-12-18;1-15-6-7-17(22(37)11-16-4-3-5-18(10-16)26(27,28)29)12-20(15)32-23-19-14-36(2)35-24(19)34-25(33-23)21-13-30-8-9-31-21;1-15-6-7-17(22(37)11-16-4-3-5-18(10-16)26(27,28)29)12-20(15)33-23-19-13-32-36(2)25(19)35-24(34-23)21-14-30-8-9-31-21/h3-11,13-15H,12H2,1-2H3,(H,29,30,31,32);3-11,13-15H,12H2,1-2H3,(H,30,31,32);3-8,10-14H,9H2,1-2H3,(H,33,34,35);3-10,12-14H,11H2,1-2H3,(H,32,33,34,35);3-10,12-14H,11H2,1-2H3,(H,33,34,35)
• InChIKey: AJSDXAUXFKZMKN-UHFFFAOYSA-N
• XLogP: 27.06
• TPSA: 466.62 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 38
• Rotatable Bonds: 30
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2448.36
LogP ≤ 5	27.06
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]ethanone;2-(3-chlorophenyl)-1-[4-methyl-3-[(2-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]ethanone;1-[4-methyl-3-[(1-methyl-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[(2-methyl-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[(1-methyl-6-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone?

The IUPAC name of 2-(3-chlorophenyl)-1-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]ethanone;2-(3-chlorophenyl)-1-[4-methyl-3-[(2-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]ethanone;1-[4-methyl-3-[(1-methyl-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[(2-methyl-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[(1-methyl-6-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone (CID 164949924) is 2-(3-chlorophenyl)-1-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]ethanone;2-(3-chlorophenyl)-1-[4-methyl-3-[(2-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]ethanone;1-[4-methyl-3-[(1-methyl-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[(2-methyl-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[(1-methyl-6-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone.

What is the SMILES notation for 2-(3-chlorophenyl)-1-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]ethanone;2-(3-chlorophenyl)-1-[4-methyl-3-[(2-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]ethanone;1-[4-methyl-3-[(1-methyl-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[(2-methyl-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[(1-methyl-6-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone?

The canonical SMILES for 2-(3-chlorophenyl)-1-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]ethanone;2-(3-chlorophenyl)-1-[4-methyl-3-[(2-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]ethanone;1-[4-methyl-3-[(1-methyl-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[(2-methyl-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[(1-methyl-6-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone is Cc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cnccn2)nc2c1cnn2C.Cc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cnccn2)nc2nn(C)cc12.Cc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cncnc2)nc2c1cnn2C.Cc1ccc(C(=O)Cc2cccc(Cl)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C.Cc1ccc(C(=O)Cc2cccc(Cl)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12.

What is the InChIKey of 2-(3-chlorophenyl)-1-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]ethanone;2-(3-chlorophenyl)-1-[4-methyl-3-[(2-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]ethanone;1-[4-methyl-3-[(1-methyl-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[(2-methyl-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[(1-methyl-6-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone?

The InChIKey is AJSDXAUXFKZMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H21ClN6O.3C26H20F3N7O/c1-16-8-9-18(23(34)12-17-5-3-7-20(27)11-17)13-22(16)29-25-21-15-33(2)32-26(21)31-24(30-25)19-6-4-10-28-14-19;1-16-8-9-18(23(34)12-17-5-3-7-20(27)11-17)13-22(16)30-25-21-15-29-33(2)26(21)32-24(31-25)19-6-4-10-28-14-19;1-15-6-7-17(22(37)9-16-4-3-5-19(8-16)26(27,28)29)10-21(15)33-24-20-13-32-36(2)25(20)35-23(34-24)18-11-30-14-31-12-18;1-15-6-7-17(22(37)11-16-4-3-5-18(10-16)26(27,28)29)12-20(15)32-23-19-14-36(2)35-24(19)34-25(33-23)21-13-30-8-9-31-21;1-15-6-7-17(22(37)11-16-4-3-5-18(10-16)26(27,28)29)12-20(15)33-23-19-13-32-36(2)25(19)35-24(34-23)21-14-30-8-9-31-21/h3-11,13-15H,12H2,1-2H3,(H,29,30,31,32);3-11,13-15H,12H2,1-2H3,(H,30,31,32);3-8,10-14H,9H2,1-2H3,(H,33,34,35);3-10,12-14H,11H2,1-2H3,(H,32,33,34,35);3-10,12-14H,11H2,1-2H3,(H,33,34,35).

What are the key properties of 2-(3-chlorophenyl)-1-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]ethanone;2-(3-chlorophenyl)-1-[4-methyl-3-[(2-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]ethanone;1-[4-methyl-3-[(1-methyl-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[(2-methyl-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[(1-methyl-6-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone?

2-(3-chlorophenyl)-1-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]ethanone;2-(3-chlorophenyl)-1-[4-methyl-3-[(2-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]ethanone;1-[4-methyl-3-[(1-methyl-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[(2-methyl-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[(1-methyl-6-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 2448.36 g/mol, XLogP of 27.06, 30 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chlorophenyl)-1-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]ethanone;2-(3-chlorophenyl)-1-[4-methyl-3-[(2-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]ethanone;1-[4-methyl-3-[(1-methyl-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[(2-methyl-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-[(1-methyl-6-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 164949924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).