N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(4-bromophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-2-[(4-fluorophenyl)methyl]-5-methylpyrazole-3-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-oxoheptanamide

C105H107BrF8N30O5 — CID 158068141

About N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(4-bromophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-2-[(4-fluorophenyl)methyl]-5-methylpyrazole-3-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-oxoheptanamide

N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(4-bromophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-2-[(4-fluorophenyl)methyl]-5-methylpyrazole-3-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-oxoheptanamide (PubChem CID 158068141) has the molecular formula C105H107BrF8N30O5 and a molecular weight of 2101.10 g/mol. Its IUPAC name is N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(4-bromophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-2-[(4-fluorophenyl)methyl]-5-methylpyrazole-3-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-oxoheptanamide.

Molecular Properties

• Compound Name: N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(4-bromophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-2-[(4-fluorophenyl)methyl]-5-methylpyrazole-3-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-oxoheptanamide
• PubChem CID: 158068141
• Molecular Formula: C105H107BrF8N30O5
• Molecular Weight: 2101.10 g/mol
• Exact Mass: 2098.81
• IUPAC Name: N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(4-bromophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-2-[(4-fluorophenyl)methyl]-5-methylpyrazole-3-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-oxoheptanamide
• SMILES: CC(=O)CCCCC(=O)NCC(C)(C)n1nc(-c2ccc(C)cc2)c2c(N)ncnc21.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3cc(C)nn3Cc3ccc(F)cc3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3cnn(-c4ccc(Br)cc4)c3C(F)(F)F)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3cnn(-c4ccc(F)cc4)c3C(F)(F)F)c3ncnc(N)c23)cc1
• InChI: InChI=1S/C28H29FN8O.C27H24BrF3N8O.C27H24F4N8O.C23H30N6O2/c1-17-5-9-20(10-6-17)24-23-25(30)32-16-33-26(23)37(35-24)28(3,4)15-31-27(38)22-13-18(2)34-36(22)14-19-7-11-21(29)12-8-19;2*1-15-4-6-16(7-5-15)21-20-23(32)34-14-35-24(20)39(37-21)26(2,3)13-33-25(40)19-12-36-38(22(19)27(29,30)31)18-10-8-17(28)9-11-18;1-15-9-11-17(12-10-15)20-19-21(24)26-14-27-22(19)29(28-20)23(3,4)13-25-18(31)8-6-5-7-16(2)30/h5-13,16H,14-15H2,1-4H3,(H,31,38)(H2,30,32,33);2*4-12,14H,13H2,1-3H3,(H,33,40)(H2,32,34,35);9-12,14H,5-8,13H2,1-4H3,(H,25,31)(H2,24,26,27)
• InChIKey: FLMJJPMPZDUXHN-UHFFFAOYSA-N
• XLogP: 18.03
• TPSA: 465.41 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 31
• Rotatable Bonds: 28
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2101.10
LogP ≤ 5	18.03
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(4-bromophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-2-[(4-fluorophenyl)methyl]-5-methylpyrazole-3-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-oxoheptanamide?

The IUPAC name of N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(4-bromophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-2-[(4-fluorophenyl)methyl]-5-methylpyrazole-3-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-oxoheptanamide (CID 158068141) is N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(4-bromophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-2-[(4-fluorophenyl)methyl]-5-methylpyrazole-3-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-oxoheptanamide.

What is the SMILES notation for N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(4-bromophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-2-[(4-fluorophenyl)methyl]-5-methylpyrazole-3-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-oxoheptanamide?

The canonical SMILES for N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(4-bromophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-2-[(4-fluorophenyl)methyl]-5-methylpyrazole-3-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-oxoheptanamide is CC(=O)CCCCC(=O)NCC(C)(C)n1nc(-c2ccc(C)cc2)c2c(N)ncnc21.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3cc(C)nn3Cc3ccc(F)cc3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3cnn(-c4ccc(Br)cc4)c3C(F)(F)F)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3cnn(-c4ccc(F)cc4)c3C(F)(F)F)c3ncnc(N)c23)cc1.

What is the InChIKey of N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(4-bromophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-2-[(4-fluorophenyl)methyl]-5-methylpyrazole-3-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-oxoheptanamide?

The InChIKey is FLMJJPMPZDUXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN8O.C27H24BrF3N8O.C27H24F4N8O.C23H30N6O2/c1-17-5-9-20(10-6-17)24-23-25(30)32-16-33-26(23)37(35-24)28(3,4)15-31-27(38)22-13-18(2)34-36(22)14-19-7-11-21(29)12-8-19;2*1-15-4-6-16(7-5-15)21-20-23(32)34-14-35-24(20)39(37-21)26(2,3)13-33-25(40)19-12-36-38(22(19)27(29,30)31)18-10-8-17(28)9-11-18;1-15-9-11-17(12-10-15)20-19-21(24)26-14-27-22(19)29(28-20)23(3,4)13-25-18(31)8-6-5-7-16(2)30/h5-13,16H,14-15H2,1-4H3,(H,31,38)(H2,30,32,33);2*4-12,14H,13H2,1-3H3,(H,33,40)(H2,32,34,35);9-12,14H,5-8,13H2,1-4H3,(H,25,31)(H2,24,26,27).

What are the key properties of N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(4-bromophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-2-[(4-fluorophenyl)methyl]-5-methylpyrazole-3-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-oxoheptanamide?

N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(4-bromophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-2-[(4-fluorophenyl)methyl]-5-methylpyrazole-3-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-oxoheptanamide has a molecular weight of 2101.10 g/mol, XLogP of 18.03, 28 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(4-bromophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-2-[(4-fluorophenyl)methyl]-5-methylpyrazole-3-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-oxoheptanamide is sourced from PubChem (CID 158068141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).