N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-2-imidazol-1-ylbenzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide;4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methyl-1-pyridin-2-ylpentan-1-one;tert-butyl N-[[4-[[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]carbamoyl]phenyl]methyl]carbamate

C104H111F3N28O7 — CID 159544797

About N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-2-imidazol-1-ylbenzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide;4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methyl-1-pyridin-2-ylpentan-1-one;tert-butyl N-[[4-[[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]carbamoyl]phenyl]methyl]carbamate

N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-2-imidazol-1-ylbenzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide;4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methyl-1-pyridin-2-ylpentan-1-one;tert-butyl N-[[4-[[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]carbamoyl]phenyl]methyl]carbamate (PubChem CID 159544797) has the molecular formula C104H111F3N28O7 and a molecular weight of 1922.21 g/mol. Its IUPAC name is N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-2-imidazol-1-ylbenzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide;4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methyl-1-pyridin-2-ylpentan-1-one;tert-butyl N-[[4-[[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]carbamoyl]phenyl]methyl]carbamate.

Molecular Properties

• Compound Name: N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-2-imidazol-1-ylbenzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide;4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methyl-1-pyridin-2-ylpentan-1-one;tert-butyl N-[[4-[[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]carbamoyl]phenyl]methyl]carbamate
• PubChem CID: 159544797
• Molecular Formula: C104H111F3N28O7
• Molecular Weight: 1922.21 g/mol
• Exact Mass: 1920.91
• IUPAC Name: N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-2-imidazol-1-ylbenzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide;4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methyl-1-pyridin-2-ylpentan-1-one;tert-butyl N-[[4-[[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]carbamoyl]phenyl]methyl]carbamate
• SMILES: Cc1ccc(-c2nn(C(C)(C)CCC(=O)c3ccccn3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3ccc(CNC(=O)C(F)(F)F)cc3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3ccc(CNC(=O)OC(C)(C)C)cc3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3ccccc3-n3ccnc3)c3ncnc(N)c23)cc1
• InChI: InChI=1S/C29H35N7O3.C26H26F3N7O2.C26H26N8O.C23H24N6O/c1-18-7-11-20(12-8-18)23-22-24(30)33-17-34-25(22)36(35-23)29(5,6)16-32-26(37)21-13-9-19(10-14-21)15-31-27(38)39-28(2,3)4;1-15-4-8-17(9-5-15)20-19-21(30)33-14-34-22(19)36(35-20)25(2,3)13-32-23(37)18-10-6-16(7-11-18)12-31-24(38)26(27,28)29;1-17-8-10-18(11-9-17)22-21-23(27)30-15-31-24(21)34(32-22)26(2,3)14-29-25(35)19-6-4-5-7-20(19)33-13-12-28-16-33;1-15-7-9-16(10-8-15)20-19-21(24)26-14-27-22(19)29(28-20)23(2,3)12-11-18(30)17-6-4-5-13-25-17/h7-14,17H,15-16H2,1-6H3,(H,31,38)(H,32,37)(H2,30,33,34);4-11,14H,12-13H2,1-3H3,(H,31,38)(H,32,37)(H2,30,33,34);4-13,15-16H,14H2,1-3H3,(H,29,35)(H2,27,30,31);4-10,13-14H,11-12H2,1-3H3,(H2,24,26,27)
• InChIKey: MEQWWZZBORGDDY-UHFFFAOYSA-N
• XLogP: 16.21
• TPSA: 480.99 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 30
• Rotatable Bonds: 26
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1922.21
LogP ≤ 5	16.21
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	30

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]-2-imidazol-1-ylbenzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide;4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methyl-1-pyridin-2-ylpentan-1-one;tert-butyl N-[[4-[[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]carbamoyl]phenyl]methyl]carbamate?

The IUPAC name of N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-2-imidazol-1-ylbenzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide;4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methyl-1-pyridin-2-ylpentan-1-one;tert-butyl N-[[4-[[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]carbamoyl]phenyl]methyl]carbamate (CID 159544797) is N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-2-imidazol-1-ylbenzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide;4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methyl-1-pyridin-2-ylpentan-1-one;tert-butyl N-[[4-[[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]carbamoyl]phenyl]methyl]carbamate.

What is the SMILES notation for N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-2-imidazol-1-ylbenzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide;4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methyl-1-pyridin-2-ylpentan-1-one;tert-butyl N-[[4-[[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]carbamoyl]phenyl]methyl]carbamate?

The canonical SMILES for N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-2-imidazol-1-ylbenzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide;4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methyl-1-pyridin-2-ylpentan-1-one;tert-butyl N-[[4-[[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]carbamoyl]phenyl]methyl]carbamate is Cc1ccc(-c2nn(C(C)(C)CCC(=O)c3ccccn3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3ccc(CNC(=O)C(F)(F)F)cc3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3ccc(CNC(=O)OC(C)(C)C)cc3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3ccccc3-n3ccnc3)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]-2-imidazol-1-ylbenzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide;4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methyl-1-pyridin-2-ylpentan-1-one;tert-butyl N-[[4-[[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]carbamoyl]phenyl]methyl]carbamate?

The InChIKey is MEQWWZZBORGDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N7O3.C26H26F3N7O2.C26H26N8O.C23H24N6O/c1-18-7-11-20(12-8-18)23-22-24(30)33-17-34-25(22)36(35-23)29(5,6)16-32-26(37)21-13-9-19(10-14-21)15-31-27(38)39-28(2,3)4;1-15-4-8-17(9-5-15)20-19-21(30)33-14-34-22(19)36(35-20)25(2,3)13-32-23(37)18-10-6-16(7-11-18)12-31-24(38)26(27,28)29;1-17-8-10-18(11-9-17)22-21-23(27)30-15-31-24(21)34(32-22)26(2,3)14-29-25(35)19-6-4-5-7-20(19)33-13-12-28-16-33;1-15-7-9-16(10-8-15)20-19-21(24)26-14-27-22(19)29(28-20)23(2,3)12-11-18(30)17-6-4-5-13-25-17/h7-14,17H,15-16H2,1-6H3,(H,31,38)(H,32,37)(H2,30,33,34);4-11,14H,12-13H2,1-3H3,(H,31,38)(H,32,37)(H2,30,33,34);4-13,15-16H,14H2,1-3H3,(H,29,35)(H2,27,30,31);4-10,13-14H,11-12H2,1-3H3,(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]-2-imidazol-1-ylbenzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide;4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methyl-1-pyridin-2-ylpentan-1-one;tert-butyl N-[[4-[[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]carbamoyl]phenyl]methyl]carbamate?

N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-2-imidazol-1-ylbenzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide;4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methyl-1-pyridin-2-ylpentan-1-one;tert-butyl N-[[4-[[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]carbamoyl]phenyl]methyl]carbamate has a molecular weight of 1922.21 g/mol, XLogP of 16.21, 26 rotatable bonds, 9 hydrogen bond donors, and 30 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]-2-imidazol-1-ylbenzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide;4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methyl-1-pyridin-2-ylpentan-1-one;tert-butyl N-[[4-[[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]carbamoyl]phenyl]methyl]carbamate is sourced from PubChem (CID 159544797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).