4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methoxybenzenesulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-(4-pyrazol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C60H49N27O4S — CID 157086897

About 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methoxybenzenesulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-(4-pyrazol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methoxybenzenesulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-(4-pyrazol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 157086897) has the molecular formula C60H49N27O4S and a molecular weight of 1244.30 g/mol. Its IUPAC name is 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methoxybenzenesulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-(4-pyrazol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methoxybenzenesulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-(4-pyrazol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 157086897
• Molecular Formula: C60H49N27O4S
• Molecular Weight: 1244.30 g/mol
• Exact Mass: 1243.42
• IUPAC Name: 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methoxybenzenesulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-(4-pyrazol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: COc1ccc(S(=O)(=O)Nc2ccc(-n3ncc4c(N)ncnc43)cc2)cc1.Cn1ccnc1C(=O)Nc1ccc(-n2ncc3c(N)ncnc32)cc1.N#Cc1ccc(-n2ncc3c(N)ncnc32)cc1.Nc1ncnc2c1cnn2-c1ccc(-n2cccn2)cc1
• InChI: InChI=1S/C18H16N6O3S.C16H14N8O.C14H11N7.C12H8N6/c1-27-14-6-8-15(9-7-14)28(25,26)23-12-2-4-13(5-3-12)24-18-16(10-22-24)17(19)20-11-21-18;1-23-7-6-18-15(23)16(25)22-10-2-4-11(5-3-10)24-14-12(8-21-24)13(17)19-9-20-14;15-13-12-8-19-21(14(12)17-9-16-13)11-4-2-10(3-5-11)20-7-1-6-18-20;13-5-8-1-3-9(4-2-8)18-12-10(6-17-18)11(14)15-7-16-12/h2-11,23H,1H3,(H2,19,20,21);2-9H,1H3,(H,22,25)(H2,17,19,20);1-9H,(H2,15,16,17);1-4,6-7H,(H2,14,15,16)
• InChIKey: AEEQYCKULSLGPR-UHFFFAOYSA-N
• XLogP: 6.44
• TPSA: 422.41 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 11
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1244.30
LogP ≤ 5	6.44
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methoxybenzenesulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-(4-pyrazol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methoxybenzenesulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-(4-pyrazol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 157086897) is 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methoxybenzenesulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-(4-pyrazol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methoxybenzenesulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-(4-pyrazol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methoxybenzenesulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-(4-pyrazol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is COc1ccc(S(=O)(=O)Nc2ccc(-n3ncc4c(N)ncnc43)cc2)cc1.Cn1ccnc1C(=O)Nc1ccc(-n2ncc3c(N)ncnc32)cc1.N#Cc1ccc(-n2ncc3c(N)ncnc32)cc1.Nc1ncnc2c1cnn2-c1ccc(-n2cccn2)cc1.

What is the InChIKey of 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methoxybenzenesulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-(4-pyrazol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is AEEQYCKULSLGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O3S.C16H14N8O.C14H11N7.C12H8N6/c1-27-14-6-8-15(9-7-14)28(25,26)23-12-2-4-13(5-3-12)24-18-16(10-22-24)17(19)20-11-21-18;1-23-7-6-18-15(23)16(25)22-10-2-4-11(5-3-10)24-14-12(8-21-24)13(17)19-9-20-14;15-13-12-8-19-21(14(12)17-9-16-13)11-4-2-10(3-5-11)20-7-1-6-18-20;13-5-8-1-3-9(4-2-8)18-12-10(6-17-18)11(14)15-7-16-12/h2-11,23H,1H3,(H2,19,20,21);2-9H,1H3,(H,22,25)(H2,17,19,20);1-9H,(H2,15,16,17);1-4,6-7H,(H2,14,15,16).

What are the key properties of 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methoxybenzenesulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-(4-pyrazol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methoxybenzenesulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-(4-pyrazol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 1244.30 g/mol, XLogP of 6.44, 11 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methoxybenzenesulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-(4-pyrazol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 157086897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).