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

C108H93F3N30O4 — CID 165062219

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

4-methyl-N-(3-methylphenyl)-3-[(2-methyl-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide;4-methyl-N-(3-methylphenyl)-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide;4-methyl-N-(3-methylphenyl)-3-[(1-methyl-6-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide;1-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]ethanone (PubChem CID 165062219) has the molecular formula C108H93F3N30O4 and a molecular weight of 1932.13 g/mol. Its IUPAC name is 4-methyl-N-(3-methylphenyl)-3-[(2-methyl-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide;4-methyl-N-(3-methylphenyl)-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide;4-methyl-N-(3-methylphenyl)-3-[(1-methyl-6-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide;1-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

• Compound Name: 4-methyl-N-(3-methylphenyl)-3-[(2-methyl-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide;4-methyl-N-(3-methylphenyl)-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide;4-methyl-N-(3-methylphenyl)-3-[(1-methyl-6-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide;1-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]ethanone
• PubChem CID: 165062219
• Molecular Formula: C108H93F3N30O4
• Molecular Weight: 1932.13 g/mol
• Exact Mass: 1930.79
• IUPAC Name: 4-methyl-N-(3-methylphenyl)-3-[(2-methyl-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide;4-methyl-N-(3-methylphenyl)-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide;4-methyl-N-(3-methylphenyl)-3-[(1-methyl-6-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide;1-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]ethanone
• SMILES: Cc1cccc(NC(=O)c2ccc(C)c(Nc3nc(-c4cccnc4)nc4c3cnn4C)c2)c1.Cc1cccc(NC(=O)c2ccc(C)c(Nc3nc(-c4cnccn4)nc4nn(C)cc34)c2)c1.Cc1cccc(NC(=O)c2ccc(C)c(Nc3nc(-c4cncnc4)nc4c3cnn4C)c2)c1.Cc1ccn(-c2cc(CC(=O)c3ccc(C)c(Nc4nc(-c5cccnc5)nc5c4cnn5C)c3)cc(C(F)(F)F)c2)c1
• InChI: InChI=1S/C32H26F3N7O.C26H23N7O.2C25H22N8O/c1-19-8-10-42(18-19)25-12-21(11-24(15-25)32(33,34)35)13-28(43)22-7-6-20(2)27(14-22)38-30-26-17-37-41(3)31(26)40-29(39-30)23-5-4-9-36-16-23;1-16-6-4-8-20(12-16)29-26(34)18-10-9-17(2)22(13-18)30-24-21-15-28-33(3)25(21)32-23(31-24)19-7-5-11-27-14-19;1-15-5-4-6-19(9-15)29-25(34)17-8-7-16(2)21(10-17)30-23-20-13-28-33(3)24(20)32-22(31-23)18-11-26-14-27-12-18;1-15-5-4-6-18(11-15)28-25(34)17-8-7-16(2)20(12-17)29-22-19-14-33(3)32-23(19)31-24(30-22)21-13-26-9-10-27-21/h4-12,14-18H,13H2,1-3H3,(H,38,39,40);4-15H,1-3H3,(H,29,34)(H,30,31,32);4-14H,1-3H3,(H,29,34)(H,30,31,32);4-14H,1-3H3,(H,28,34)(H,29,30,31,32)
• InChIKey: RJVYEWQCZURNME-UHFFFAOYSA-N
• XLogP: 20.92
• TPSA: 409.16 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 22
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1932.13
LogP ≤ 5	20.92
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

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

The IUPAC name of 4-methyl-N-(3-methylphenyl)-3-[(2-methyl-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide;4-methyl-N-(3-methylphenyl)-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide;4-methyl-N-(3-methylphenyl)-3-[(1-methyl-6-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide;1-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]ethanone (CID 165062219) is 4-methyl-N-(3-methylphenyl)-3-[(2-methyl-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide;4-methyl-N-(3-methylphenyl)-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide;4-methyl-N-(3-methylphenyl)-3-[(1-methyl-6-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide;1-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]ethanone.

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

The canonical SMILES for 4-methyl-N-(3-methylphenyl)-3-[(2-methyl-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide;4-methyl-N-(3-methylphenyl)-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide;4-methyl-N-(3-methylphenyl)-3-[(1-methyl-6-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide;1-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]ethanone is Cc1cccc(NC(=O)c2ccc(C)c(Nc3nc(-c4cccnc4)nc4c3cnn4C)c2)c1.Cc1cccc(NC(=O)c2ccc(C)c(Nc3nc(-c4cnccn4)nc4nn(C)cc34)c2)c1.Cc1cccc(NC(=O)c2ccc(C)c(Nc3nc(-c4cncnc4)nc4c3cnn4C)c2)c1.Cc1ccn(-c2cc(CC(=O)c3ccc(C)c(Nc4nc(-c5cccnc5)nc5c4cnn5C)c3)cc(C(F)(F)F)c2)c1.

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

The InChIKey is RJVYEWQCZURNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F3N7O.C26H23N7O.2C25H22N8O/c1-19-8-10-42(18-19)25-12-21(11-24(15-25)32(33,34)35)13-28(43)22-7-6-20(2)27(14-22)38-30-26-17-37-41(3)31(26)40-29(39-30)23-5-4-9-36-16-23;1-16-6-4-8-20(12-16)29-26(34)18-10-9-17(2)22(13-18)30-24-21-15-28-33(3)25(21)32-23(31-24)19-7-5-11-27-14-19;1-15-5-4-6-19(9-15)29-25(34)17-8-7-16(2)21(10-17)30-23-20-13-28-33(3)24(20)32-22(31-23)18-11-26-14-27-12-18;1-15-5-4-6-18(11-15)28-25(34)17-8-7-16(2)20(12-17)29-22-19-14-33(3)32-23(19)31-24(30-22)21-13-26-9-10-27-21/h4-12,14-18H,13H2,1-3H3,(H,38,39,40);4-15H,1-3H3,(H,29,34)(H,30,31,32);4-14H,1-3H3,(H,29,34)(H,30,31,32);4-14H,1-3H3,(H,28,34)(H,29,30,31,32).

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

4-methyl-N-(3-methylphenyl)-3-[(2-methyl-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide;4-methyl-N-(3-methylphenyl)-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide;4-methyl-N-(3-methylphenyl)-3-[(1-methyl-6-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide;1-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]ethanone has a molecular weight of 1932.13 g/mol, XLogP of 20.92, 22 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-(3-methylphenyl)-3-[(2-methyl-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide;4-methyl-N-(3-methylphenyl)-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide;4-methyl-N-(3-methylphenyl)-3-[(1-methyl-6-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide;1-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 165062219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).