3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[6-(dimethylamino)pyridazin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1-fluoroethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-morpholin-4-ylpyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(5-propan-2-yloxy-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

C104H97ClFN55O5 — CID 159613316

About 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[6-(dimethylamino)pyridazin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1-fluoroethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-morpholin-4-ylpyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(5-propan-2-yloxy-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[6-(dimethylamino)pyridazin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1-fluoroethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-morpholin-4-ylpyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(5-propan-2-yloxy-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 159613316) has the molecular formula C104H97ClFN55O5 and a molecular weight of 2251.75 g/mol. Its IUPAC name is 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[6-(dimethylamino)pyridazin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1-fluoroethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-morpholin-4-ylpyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(5-propan-2-yloxy-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[6-(dimethylamino)pyridazin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1-fluoroethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-morpholin-4-ylpyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(5-propan-2-yloxy-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 159613316
• Molecular Formula: C104H97ClFN55O5
• Molecular Weight: 2251.75 g/mol
• Exact Mass: 2249.87
• IUPAC Name: 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[6-(dimethylamino)pyridazin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1-fluoroethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-morpholin-4-ylpyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(5-propan-2-yloxy-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: CC(C)Oc1ccc(-n2ncc3c(N)ncnc32)nc1.CC(F)Oc1cccc(-n2ncc3c(N)ncnc32)c1.CN(C)c1ccc(-n2ncc3c(N)ncnc32)nn1.COc1cccc(-n2ncc3c(N)ncnc32)c1.Cc1cccc(-n2ncc3c(N)ncnc32)c1.Nc1ncnc2c1cnn2-c1ccc(=O)[nH]n1.Nc1ncnc2c1cnn2-c1ccc(Cl)cc1.Nc1ncnc2c1cnn2-c1ccc(N2CCOCC2)nn1.Nc1ncnc2c1cnn2-c1ccncc1
• InChI: InChI=1S/C13H12FN5O.C13H14N8O.C13H14N6O.C12H11N5O.C12H11N5.C11H8ClN5.C11H12N8.C10H8N6.C9H7N7O/c1-8(14)20-10-4-2-3-9(5-10)19-13-11(6-18-19)12(15)16-7-17-13;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;1-8(2)20-9-3-4-11(15-5-9)19-13-10(6-18-19)12(14)16-7-17-13;1-18-9-4-2-3-8(5-9)17-12-10(6-16-17)11(13)14-7-15-12;1-8-3-2-4-9(5-8)17-12-10(6-16-17)11(13)14-7-15-12;12-7-1-3-8(4-2-7)17-11-9(5-16-17)10(13)14-6-15-11;1-18(2)8-3-4-9(17-16-8)19-11-7(5-15-19)10(12)13-6-14-11;11-9-8-5-15-16(10(8)14-6-13-9)7-1-3-12-4-2-7;10-8-5-3-13-16(9(5)12-4-11-8)6-1-2-7(17)15-14-6/h2-8H,1H3,(H2,15,16,17);1-2,7-8H,3-6H2,(H2,14,15,16);3-8H,1-2H3,(H2,14,16,17);2-7H,1H3,(H2,13,14,15);2-7H,1H3,(H2,13,14,15);1-6H,(H2,13,14,15);3-6H,1-2H3,(H2,12,13,14);1-6H,(H2,11,13,14);1-4H,(H,15,17)(H2,10,11,12)
• InChIKey: MMZBTGFWHXXMGT-UHFFFAOYSA-N
• XLogP: 9.39
• TPSA: 793.07 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 59
• Rotatable Bonds: 16
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2251.75
LogP ≤ 5	9.39
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	59

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[6-(dimethylamino)pyridazin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1-fluoroethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-morpholin-4-ylpyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(5-propan-2-yloxy-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[6-(dimethylamino)pyridazin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1-fluoroethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-morpholin-4-ylpyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(5-propan-2-yloxy-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 159613316) is 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[6-(dimethylamino)pyridazin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1-fluoroethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-morpholin-4-ylpyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(5-propan-2-yloxy-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[6-(dimethylamino)pyridazin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1-fluoroethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-morpholin-4-ylpyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(5-propan-2-yloxy-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[6-(dimethylamino)pyridazin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1-fluoroethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-morpholin-4-ylpyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(5-propan-2-yloxy-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)Oc1ccc(-n2ncc3c(N)ncnc32)nc1.CC(F)Oc1cccc(-n2ncc3c(N)ncnc32)c1.CN(C)c1ccc(-n2ncc3c(N)ncnc32)nn1.COc1cccc(-n2ncc3c(N)ncnc32)c1.Cc1cccc(-n2ncc3c(N)ncnc32)c1.Nc1ncnc2c1cnn2-c1ccc(=O)[nH]n1.Nc1ncnc2c1cnn2-c1ccc(Cl)cc1.Nc1ncnc2c1cnn2-c1ccc(N2CCOCC2)nn1.Nc1ncnc2c1cnn2-c1ccncc1.

What is the InChIKey of 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[6-(dimethylamino)pyridazin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1-fluoroethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-morpholin-4-ylpyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(5-propan-2-yloxy-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is MMZBTGFWHXXMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5O.C13H14N8O.C13H14N6O.C12H11N5O.C12H11N5.C11H8ClN5.C11H12N8.C10H8N6.C9H7N7O/c1-8(14)20-10-4-2-3-9(5-10)19-13-11(6-18-19)12(15)16-7-17-13;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;1-8(2)20-9-3-4-11(15-5-9)19-13-10(6-18-19)12(14)16-7-17-13;1-18-9-4-2-3-8(5-9)17-12-10(6-16-17)11(13)14-7-15-12;1-8-3-2-4-9(5-8)17-12-10(6-16-17)11(13)14-7-15-12;12-7-1-3-8(4-2-7)17-11-9(5-16-17)10(13)14-6-15-11;1-18(2)8-3-4-9(17-16-8)19-11-7(5-15-19)10(12)13-6-14-11;11-9-8-5-15-16(10(8)14-6-13-9)7-1-3-12-4-2-7;10-8-5-3-13-16(9(5)12-4-11-8)6-1-2-7(17)15-14-6/h2-8H,1H3,(H2,15,16,17);1-2,7-8H,3-6H2,(H2,14,15,16);3-8H,1-2H3,(H2,14,16,17);2-7H,1H3,(H2,13,14,15);2-7H,1H3,(H2,13,14,15);1-6H,(H2,13,14,15);3-6H,1-2H3,(H2,12,13,14);1-6H,(H2,11,13,14);1-4H,(H,15,17)(H2,10,11,12).

What are the key properties of 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[6-(dimethylamino)pyridazin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1-fluoroethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-morpholin-4-ylpyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(5-propan-2-yloxy-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?

3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[6-(dimethylamino)pyridazin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1-fluoroethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-morpholin-4-ylpyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(5-propan-2-yloxy-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 2251.75 g/mol, XLogP of 9.39, 16 rotatable bonds, 10 hydrogen bond donors, and 59 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[6-(dimethylamino)pyridazin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1-fluoroethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-morpholin-4-ylpyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(5-propan-2-yloxy-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 159613316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).