4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridin-2-one;1-(6-chloropyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(2-chloro-4-pyridinyl)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[4,5-c]pyridin-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-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine

C107H92Cl2N64O3S2 — CID 157270404

About 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridin-2-one;1-(6-chloropyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(2-chloro-4-pyridinyl)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[4,5-c]pyridin-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-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine

4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridin-2-one;1-(6-chloropyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(2-chloro-4-pyridinyl)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[4,5-c]pyridin-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-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 157270404) has the molecular formula C107H92Cl2N64O3S2 and a molecular weight of 2457.40 g/mol. Its IUPAC name is 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridin-2-one;1-(6-chloropyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(2-chloro-4-pyridinyl)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[4,5-c]pyridin-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-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridin-2-one;1-(6-chloropyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(2-chloro-4-pyridinyl)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[4,5-c]pyridin-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-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 157270404
• Molecular Formula: C107H92Cl2N64O3S2
• Molecular Weight: 2457.40 g/mol
• Exact Mass: 2454.78
• IUPAC Name: 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridin-2-one;1-(6-chloropyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(2-chloro-4-pyridinyl)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[4,5-c]pyridin-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-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: CC(C)Oc1ccc(-n2ncc3c(N)nccc32)nn1.CN(C)c1ccc(-n2ncc3c(N)ncnc32)nn1.Nc1ncnc2c1cnn2-c1cc[nH]c(=O)c1.Nc1ncnc2c1cnn2-c1ccc(Cl)nn1.Nc1ncnc2c1cnn2-c1ccc(N2CCOCC2)nn1.Nc1ncnc2c1cnn2-c1ccccn1.Nc1ncnc2c1cnn2-c1cccs1.Nc1ncnc2c1cnn2-c1ccnc(Cl)c1.Nc1ncnc2c1cnn2-c1ccsc1.Nc1ncnc2c1cnn2-c1cnc2ccccc2n1
• InChI: InChI=1S/C13H14N8O.C13H9N7.C13H14N6O.C11H12N8.C10H7ClN6.C10H8N6O.C10H8N6.C9H6ClN7.2C9H7N5S/c14-12-9-7-17-21(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;1-8(2)20-12-4-3-11(17-18-12)19-10-5-6-15-13(14)9(10)7-16-19;1-18(2)8-3-4-9(17-16-8)19-11-7(5-15-19)10(12)13-6-14-11;11-8-3-6(1-2-13-8)17-10-7(4-16-17)9(12)14-5-15-10;11-9-7-4-15-16(10(7)14-5-13-9)6-1-2-12-8(17)3-6;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;10-8-7-3-13-14(6-1-2-15-4-6)9(7)12-5-11-8;10-8-6-4-13-14(7-2-1-3-15-7)9(6)12-5-11-8/h1-2,7-8H,3-6H2,(H2,14,15,16);1-7H,(H2,14,16,17);3-8H,1-2H3,(H2,14,15);3-6H,1-2H3,(H2,12,13,14);1-5H,(H2,12,14,15);1-5H,(H,12,17)(H2,11,13,14);1-6H,(H2,11,13,14);1-4H,(H2,11,12,13);2*1-5H,(H2,10,11,12)
• InChIKey: AYLVWTGQFYDHTH-UHFFFAOYSA-N
• XLogP: 9.28
• TPSA: 895.79 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 68
• Rotatable Bonds: 14
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2457.40
LogP ≤ 5	9.28
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	68

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridin-2-one;1-(6-chloropyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(2-chloro-4-pyridinyl)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[4,5-c]pyridin-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-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridin-2-one;1-(6-chloropyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(2-chloro-4-pyridinyl)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[4,5-c]pyridin-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-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 157270404) is 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridin-2-one;1-(6-chloropyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(2-chloro-4-pyridinyl)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[4,5-c]pyridin-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-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridin-2-one;1-(6-chloropyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(2-chloro-4-pyridinyl)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[4,5-c]pyridin-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-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridin-2-one;1-(6-chloropyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(2-chloro-4-pyridinyl)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[4,5-c]pyridin-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-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)Oc1ccc(-n2ncc3c(N)nccc32)nn1.CN(C)c1ccc(-n2ncc3c(N)ncnc32)nn1.Nc1ncnc2c1cnn2-c1cc[nH]c(=O)c1.Nc1ncnc2c1cnn2-c1ccc(Cl)nn1.Nc1ncnc2c1cnn2-c1ccc(N2CCOCC2)nn1.Nc1ncnc2c1cnn2-c1ccccn1.Nc1ncnc2c1cnn2-c1cccs1.Nc1ncnc2c1cnn2-c1ccnc(Cl)c1.Nc1ncnc2c1cnn2-c1ccsc1.Nc1ncnc2c1cnn2-c1cnc2ccccc2n1.

What is the InChIKey of 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridin-2-one;1-(6-chloropyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(2-chloro-4-pyridinyl)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[4,5-c]pyridin-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-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is AYLVWTGQFYDHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N8O.C13H9N7.C13H14N6O.C11H12N8.C10H7ClN6.C10H8N6O.C10H8N6.C9H6ClN7.2C9H7N5S/c14-12-9-7-17-21(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;1-8(2)20-12-4-3-11(17-18-12)19-10-5-6-15-13(14)9(10)7-16-19;1-18(2)8-3-4-9(17-16-8)19-11-7(5-15-19)10(12)13-6-14-11;11-8-3-6(1-2-13-8)17-10-7(4-16-17)9(12)14-5-15-10;11-9-7-4-15-16(10(7)14-5-13-9)6-1-2-12-8(17)3-6;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;10-8-7-3-13-14(6-1-2-15-4-6)9(7)12-5-11-8;10-8-6-4-13-14(7-2-1-3-15-7)9(6)12-5-11-8/h1-2,7-8H,3-6H2,(H2,14,15,16);1-7H,(H2,14,16,17);3-8H,1-2H3,(H2,14,15);3-6H,1-2H3,(H2,12,13,14);1-5H,(H2,12,14,15);1-5H,(H,12,17)(H2,11,13,14);1-6H,(H2,11,13,14);1-4H,(H2,11,12,13);2*1-5H,(H2,10,11,12).

What are the key properties of 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridin-2-one;1-(6-chloropyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(2-chloro-4-pyridinyl)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[4,5-c]pyridin-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-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?

4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridin-2-one;1-(6-chloropyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(2-chloro-4-pyridinyl)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[4,5-c]pyridin-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-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 2457.40 g/mol, XLogP of 9.28, 14 rotatable bonds, 11 hydrogen bond donors, and 68 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridin-2-one;1-(6-chloropyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(2-chloro-4-pyridinyl)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[4,5-c]pyridin-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-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 157270404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).