1-(4-aminophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-fluorobenzamide;1-(6-chloropyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[6-(dimethylamino)pyridazin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-morpholin-4-ylpyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-propan-2-yloxypyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-quinoxalin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C122H104ClFN66O3S — CID 160686320

About 1-(4-aminophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-fluorobenzamide;1-(6-chloropyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[6-(dimethylamino)pyridazin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-morpholin-4-ylpyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-propan-2-yloxypyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-quinoxalin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

1-(4-aminophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-fluorobenzamide;1-(6-chloropyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[6-(dimethylamino)pyridazin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-morpholin-4-ylpyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-propan-2-yloxypyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-quinoxalin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 160686320) has the molecular formula C122H104ClFN66O3S and a molecular weight of 2629.15 g/mol. Its IUPAC name is 1-(4-aminophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-fluorobenzamide;1-(6-chloropyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[6-(dimethylamino)pyridazin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-morpholin-4-ylpyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-propan-2-yloxypyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-quinoxalin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 1-(4-aminophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-fluorobenzamide;1-(6-chloropyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[6-(dimethylamino)pyridazin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-morpholin-4-ylpyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-propan-2-yloxypyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-quinoxalin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 160686320
• Molecular Formula: C122H104ClFN66O3S
• Molecular Weight: 2629.15 g/mol
• Exact Mass: 2626.94
• IUPAC Name: 1-(4-aminophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-fluorobenzamide;1-(6-chloropyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[6-(dimethylamino)pyridazin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-morpholin-4-ylpyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-propan-2-yloxypyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-quinoxalin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: CC(C)Oc1ccc(-n2ncc3c(N)ncnc32)nn1.CN(C)c1ccc(-n2ncc3c(N)ncnc32)nn1.Nc1ccc(-n2ncc3c(N)ncnc32)cc1.Nc1ncnc2c1cnn2-c1ccc(Cl)nn1.Nc1ncnc2c1cnn2-c1ccc(N2CCOCC2)nn1.Nc1ncnc2c1cnn2-c1ccc(NC(=O)c2ccc(F)cc2)cc1.Nc1ncnc2c1cnn2-c1cccc(-c2ccncc2)c1.Nc1ncnc2c1cnn2-c1ccccn1.Nc1ncnc2c1cnn2-c1cccs1.Nc1ncnc2c1cnn2-c1cnc2ccccc2n1
• InChI: InChI=1S/C18H13FN6O.C16H12N6.C13H14N8O.C13H9N7.C12H13N7O.C11H12N8.C11H10N6.C10H8N6.C9H6ClN7.C9H7N5S/c19-12-3-1-11(2-4-12)18(26)24-13-5-7-14(8-6-13)25-17-15(9-23-25)16(20)21-10-22-17;17-15-14-9-21-22(16(14)20-10-19-15)13-3-1-2-12(8-13)11-4-6-18-7-5-11;14-12-9-7-17-21(13(9)16-8-15-12)11-2-1-10(18-19-11)20-3-5-22-6-4-20;14-12-8-5-18-20(13(8)17-7-16-12)11-6-15-9-3-1-2-4-10(9)19-11;1-7(2)20-10-4-3-9(17-18-10)19-12-8(5-16-19)11(13)14-6-15-12;1-18(2)8-3-4-9(17-16-8)19-11-7(5-15-19)10(12)13-6-14-11;12-7-1-3-8(4-2-7)17-11-9(5-16-17)10(13)14-6-15-11;11-9-7-5-15-16(10(7)14-6-13-9)8-3-1-2-4-12-8;10-6-1-2-7(16-15-6)17-9-5(3-14-17)8(11)12-4-13-9;10-8-6-4-13-14(7-2-1-3-15-7)9(6)12-5-11-8/h1-10H,(H,24,26)(H2,20,21,22);1-10H,(H2,17,19,20);1-2,7-8H,3-6H2,(H2,14,15,16);1-7H,(H2,14,16,17);3-7H,1-2H3,(H2,13,14,15);3-6H,1-2H3,(H2,12,13,14);1-6H,12H2,(H2,13,14,15);1-6H,(H2,11,13,14);1-4H,(H2,11,12,13);1-5H,(H2,10,11,12)
• InChIKey: ROUPSNPMOMSGNE-UHFFFAOYSA-N
• XLogP: 11.92
• TPSA: 930.94 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 69
• Rotatable Bonds: 17
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2629.15
LogP ≤ 5	11.92
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	69

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-fluorobenzamide;1-(6-chloropyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[6-(dimethylamino)pyridazin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-morpholin-4-ylpyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-propan-2-yloxypyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-quinoxalin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of 1-(4-aminophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-fluorobenzamide;1-(6-chloropyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[6-(dimethylamino)pyridazin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-morpholin-4-ylpyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-propan-2-yloxypyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-quinoxalin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 160686320) is 1-(4-aminophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-fluorobenzamide;1-(6-chloropyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[6-(dimethylamino)pyridazin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-morpholin-4-ylpyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-propan-2-yloxypyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-quinoxalin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 1-(4-aminophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-fluorobenzamide;1-(6-chloropyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[6-(dimethylamino)pyridazin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-morpholin-4-ylpyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-propan-2-yloxypyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-quinoxalin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 1-(4-aminophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-fluorobenzamide;1-(6-chloropyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[6-(dimethylamino)pyridazin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-morpholin-4-ylpyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-propan-2-yloxypyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-quinoxalin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)Oc1ccc(-n2ncc3c(N)ncnc32)nn1.CN(C)c1ccc(-n2ncc3c(N)ncnc32)nn1.Nc1ccc(-n2ncc3c(N)ncnc32)cc1.Nc1ncnc2c1cnn2-c1ccc(Cl)nn1.Nc1ncnc2c1cnn2-c1ccc(N2CCOCC2)nn1.Nc1ncnc2c1cnn2-c1ccc(NC(=O)c2ccc(F)cc2)cc1.Nc1ncnc2c1cnn2-c1cccc(-c2ccncc2)c1.Nc1ncnc2c1cnn2-c1ccccn1.Nc1ncnc2c1cnn2-c1cccs1.Nc1ncnc2c1cnn2-c1cnc2ccccc2n1.

What is the InChIKey of 1-(4-aminophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-fluorobenzamide;1-(6-chloropyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[6-(dimethylamino)pyridazin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-morpholin-4-ylpyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-propan-2-yloxypyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-quinoxalin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is ROUPSNPMOMSGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN6O.C16H12N6.C13H14N8O.C13H9N7.C12H13N7O.C11H12N8.C11H10N6.C10H8N6.C9H6ClN7.C9H7N5S/c19-12-3-1-11(2-4-12)18(26)24-13-5-7-14(8-6-13)25-17-15(9-23-25)16(20)21-10-22-17;17-15-14-9-21-22(16(14)20-10-19-15)13-3-1-2-12(8-13)11-4-6-18-7-5-11;14-12-9-7-17-21(13(9)16-8-15-12)11-2-1-10(18-19-11)20-3-5-22-6-4-20;14-12-8-5-18-20(13(8)17-7-16-12)11-6-15-9-3-1-2-4-10(9)19-11;1-7(2)20-10-4-3-9(17-18-10)19-12-8(5-16-19)11(13)14-6-15-12;1-18(2)8-3-4-9(17-16-8)19-11-7(5-15-19)10(12)13-6-14-11;12-7-1-3-8(4-2-7)17-11-9(5-16-17)10(13)14-6-15-11;11-9-7-5-15-16(10(7)14-6-13-9)8-3-1-2-4-12-8;10-6-1-2-7(16-15-6)17-9-5(3-14-17)8(11)12-4-13-9;10-8-6-4-13-14(7-2-1-3-15-7)9(6)12-5-11-8/h1-10H,(H,24,26)(H2,20,21,22);1-10H,(H2,17,19,20);1-2,7-8H,3-6H2,(H2,14,15,16);1-7H,(H2,14,16,17);3-7H,1-2H3,(H2,13,14,15);3-6H,1-2H3,(H2,12,13,14);1-6H,12H2,(H2,13,14,15);1-6H,(H2,11,13,14);1-4H,(H2,11,12,13);1-5H,(H2,10,11,12).

What are the key properties of 1-(4-aminophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-fluorobenzamide;1-(6-chloropyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[6-(dimethylamino)pyridazin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-morpholin-4-ylpyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-propan-2-yloxypyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-quinoxalin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?

1-(4-aminophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-fluorobenzamide;1-(6-chloropyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[6-(dimethylamino)pyridazin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-morpholin-4-ylpyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-propan-2-yloxypyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-quinoxalin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 2629.15 g/mol, XLogP of 11.92, 17 rotatable bonds, 12 hydrogen bond donors, and 69 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-aminophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-fluorobenzamide;1-(6-chloropyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[6-(dimethylamino)pyridazin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-morpholin-4-ylpyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-propan-2-yloxypyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-quinoxalin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 160686320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).