N'-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzenecarboximidamide;N'-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-2-carboximidamide;benzyl N-[2-[4-amino-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]carbamate;1-[1-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylpropan-2-yl]-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C89H101N29O2 — CID 158070148

About N'-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzenecarboximidamide;N'-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-2-carboximidamide;benzyl N-[2-[4-amino-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]carbamate;1-[1-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylpropan-2-yl]-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

N'-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzenecarboximidamide;N'-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-2-carboximidamide;benzyl N-[2-[4-amino-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]carbamate;1-[1-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylpropan-2-yl]-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 158070148) has the molecular formula C89H101N29O2 and a molecular weight of 1608.99 g/mol. Its IUPAC name is N'-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzenecarboximidamide;N'-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-2-carboximidamide;benzyl N-[2-[4-amino-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]carbamate;1-[1-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylpropan-2-yl]-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N'-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzenecarboximidamide;N'-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-2-carboximidamide;benzyl N-[2-[4-amino-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]carbamate;1-[1-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylpropan-2-yl]-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 158070148
• Molecular Formula: C89H101N29O2
• Molecular Weight: 1608.99 g/mol
• Exact Mass: 1607.87
• IUPAC Name: N'-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzenecarboximidamide;N'-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-2-carboximidamide;benzyl N-[2-[4-amino-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]carbamate;1-[1-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylpropan-2-yl]-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: Cc1ccc(-c2nn(C(C)(C)C/N=C(\N)c3ccccc3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)C/N=C(\N)c3ccccn3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC3=NCCN3)c3ncnc(N)c23)cc1.Cc1cccc(Cc2nn(C(C)(C)CNC(=O)OCc3ccccc3)c3ncnc(N)c23)c1
• InChI: InChI=1S/C25H28N6O2.C23H25N7.C22H24N8.C19H24N8/c1-17-8-7-11-19(12-17)13-20-21-22(26)28-16-29-23(21)31(30-20)25(2,3)15-27-24(32)33-14-18-9-5-4-6-10-18;1-15-9-11-16(12-10-15)19-18-21(25)27-14-28-22(18)30(29-19)23(2,3)13-26-20(24)17-7-5-4-6-8-17;1-14-7-9-15(10-8-14)18-17-20(24)27-13-28-21(17)30(29-18)22(2,3)12-26-19(23)16-6-4-5-11-25-16;1-12-4-6-13(7-5-12)15-14-16(20)24-11-25-17(14)27(26-15)19(2,3)10-23-18-21-8-9-22-18/h4-12,16H,13-15H2,1-3H3,(H,27,32)(H2,26,28,29);4-12,14H,13H2,1-3H3,(H2,24,26)(H2,25,27,28);4-11,13H,12H2,1-3H3,(H2,23,26)(H2,24,27,28);4-7,11H,8-10H2,1-3H3,(H2,20,24,25)(H2,21,22,23)
• InChIKey: FLSMUGSTASYUNO-UHFFFAOYSA-N
• XLogP: 12.08
• TPSA: 442.88 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 28
• Rotatable Bonds: 21
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1608.99
LogP ≤ 5	12.08
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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]benzenecarboximidamide;N'-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-2-carboximidamide;benzyl N-[2-[4-amino-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]carbamate;1-[1-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylpropan-2-yl]-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of N'-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzenecarboximidamide;N'-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-2-carboximidamide;benzyl N-[2-[4-amino-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]carbamate;1-[1-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylpropan-2-yl]-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 158070148) is N'-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzenecarboximidamide;N'-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-2-carboximidamide;benzyl N-[2-[4-amino-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]carbamate;1-[1-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylpropan-2-yl]-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for N'-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzenecarboximidamide;N'-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-2-carboximidamide;benzyl N-[2-[4-amino-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]carbamate;1-[1-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylpropan-2-yl]-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for N'-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzenecarboximidamide;N'-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-2-carboximidamide;benzyl N-[2-[4-amino-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]carbamate;1-[1-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylpropan-2-yl]-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is Cc1ccc(-c2nn(C(C)(C)C/N=C(\N)c3ccccc3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)C/N=C(\N)c3ccccn3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC3=NCCN3)c3ncnc(N)c23)cc1.Cc1cccc(Cc2nn(C(C)(C)CNC(=O)OCc3ccccc3)c3ncnc(N)c23)c1.

What is the InChIKey of N'-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzenecarboximidamide;N'-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-2-carboximidamide;benzyl N-[2-[4-amino-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]carbamate;1-[1-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylpropan-2-yl]-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is FLSMUGSTASYUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2.C23H25N7.C22H24N8.C19H24N8/c1-17-8-7-11-19(12-17)13-20-21-22(26)28-16-29-23(21)31(30-20)25(2,3)15-27-24(32)33-14-18-9-5-4-6-10-18;1-15-9-11-16(12-10-15)19-18-21(25)27-14-28-22(18)30(29-19)23(2,3)13-26-20(24)17-7-5-4-6-8-17;1-14-7-9-15(10-8-14)18-17-20(24)27-13-28-21(17)30(29-18)22(2,3)12-26-19(23)16-6-4-5-11-25-16;1-12-4-6-13(7-5-12)15-14-16(20)24-11-25-17(14)27(26-15)19(2,3)10-23-18-21-8-9-22-18/h4-12,16H,13-15H2,1-3H3,(H,27,32)(H2,26,28,29);4-12,14H,13H2,1-3H3,(H2,24,26)(H2,25,27,28);4-11,13H,12H2,1-3H3,(H2,23,26)(H2,24,27,28);4-7,11H,8-10H2,1-3H3,(H2,20,24,25)(H2,21,22,23).

What are the key properties of N'-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzenecarboximidamide;N'-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-2-carboximidamide;benzyl N-[2-[4-amino-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]carbamate;1-[1-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylpropan-2-yl]-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

N'-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzenecarboximidamide;N'-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-2-carboximidamide;benzyl N-[2-[4-amino-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]carbamate;1-[1-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylpropan-2-yl]-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 1608.99 g/mol, XLogP of 12.08, 21 rotatable bonds, 9 hydrogen bond donors, and 28 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]benzenecarboximidamide;N'-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-2-carboximidamide;benzyl N-[2-[4-amino-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]carbamate;1-[1-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylpropan-2-yl]-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 158070148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).