1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methylpentanamide;1-[3-[1-(2-methoxyethyl)imidazol-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-phenylpyrazolo[3,4-d]pyrimidin-4-amine;1-(4-pyrazol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-pyrrol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C106H96N46O4 — CID 162002423

About 1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methylpentanamide;1-[3-[1-(2-methoxyethyl)imidazol-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-phenylpyrazolo[3,4-d]pyrimidin-4-amine;1-(4-pyrazol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-pyrrol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methylpentanamide;1-[3-[1-(2-methoxyethyl)imidazol-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-phenylpyrazolo[3,4-d]pyrimidin-4-amine;1-(4-pyrazol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-pyrrol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 162002423) has the molecular formula C106H96N46O4 and a molecular weight of 2078.25 g/mol. Its IUPAC name is 1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methylpentanamide;1-[3-[1-(2-methoxyethyl)imidazol-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-phenylpyrazolo[3,4-d]pyrimidin-4-amine;1-(4-pyrazol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-pyrrol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methylpentanamide;1-[3-[1-(2-methoxyethyl)imidazol-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-phenylpyrazolo[3,4-d]pyrimidin-4-amine;1-(4-pyrazol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-pyrrol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 162002423
• Molecular Formula: C106H96N46O4
• Molecular Weight: 2078.25 g/mol
• Exact Mass: 2076.87
• IUPAC Name: 1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methylpentanamide;1-[3-[1-(2-methoxyethyl)imidazol-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-phenylpyrazolo[3,4-d]pyrimidin-4-amine;1-(4-pyrazol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-pyrrol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: CC(=O)n1cnc(-c2cccc(-n3ncc4c(N)ncnc43)c2)c1.CCC(C)CC(=O)Nc1cccc(-n2ncc3c(N)ncnc32)c1.COCCn1cnc(-c2cccc(-n3ncc4c(N)ncnc43)c2)c1.Cn1ccnc1C(=O)Nc1ccc(-n2ncc3c(N)ncnc32)cc1.Nc1ncnc2c1cnn2-c1ccc(-n2cccc2)cc1.Nc1ncnc2c1cnn2-c1ccc(-n2cccn2)cc1.Nc1ncnc2c1cnn2-c1ccccc1
• InChI: InChI=1S/C17H17N7O.C17H20N6O.C16H14N8O.C16H13N7O.C15H12N6.C14H11N7.C11H9N5/c1-25-6-5-23-9-15(21-11-23)12-3-2-4-13(7-12)24-17-14(8-22-24)16(18)19-10-20-17;1-3-11(2)7-15(24)22-12-5-4-6-13(8-12)23-17-14(9-21-23)16(18)19-10-20-17;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;1-10(24)22-7-14(20-9-22)11-3-2-4-12(5-11)23-16-13(6-21-23)15(17)18-8-19-16;16-14-13-9-19-21(15(13)18-10-17-14)12-5-3-11(4-6-12)20-7-1-2-8-20;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;12-10-9-6-15-16(11(9)14-7-13-10)8-4-2-1-3-5-8/h2-4,7-11H,5-6H2,1H3,(H2,18,19,20);4-6,8-11H,3,7H2,1-2H3,(H,22,24)(H2,18,19,20);2-9H,1H3,(H,22,25)(H2,17,19,20);2-9H,1H3,(H2,17,18,19);1-10H,(H2,16,17,18);1-9H,(H2,15,16,17);1-7H,(H2,12,13,14)
• InChIKey: YSJUBKOAFQIKHX-UHFFFAOYSA-N
• XLogP: 13.15
• TPSA: 648.05 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 48
• Rotatable Bonds: 20
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2078.25
LogP ≤ 5	13.15
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	48

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methylpentanamide;1-[3-[1-(2-methoxyethyl)imidazol-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-phenylpyrazolo[3,4-d]pyrimidin-4-amine;1-(4-pyrazol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-pyrrol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of 1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methylpentanamide;1-[3-[1-(2-methoxyethyl)imidazol-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-phenylpyrazolo[3,4-d]pyrimidin-4-amine;1-(4-pyrazol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-pyrrol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 162002423) is 1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methylpentanamide;1-[3-[1-(2-methoxyethyl)imidazol-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-phenylpyrazolo[3,4-d]pyrimidin-4-amine;1-(4-pyrazol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-pyrrol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methylpentanamide;1-[3-[1-(2-methoxyethyl)imidazol-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-phenylpyrazolo[3,4-d]pyrimidin-4-amine;1-(4-pyrazol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-pyrrol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methylpentanamide;1-[3-[1-(2-methoxyethyl)imidazol-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-phenylpyrazolo[3,4-d]pyrimidin-4-amine;1-(4-pyrazol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-pyrrol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is CC(=O)n1cnc(-c2cccc(-n3ncc4c(N)ncnc43)c2)c1.CCC(C)CC(=O)Nc1cccc(-n2ncc3c(N)ncnc32)c1.COCCn1cnc(-c2cccc(-n3ncc4c(N)ncnc43)c2)c1.Cn1ccnc1C(=O)Nc1ccc(-n2ncc3c(N)ncnc32)cc1.Nc1ncnc2c1cnn2-c1ccc(-n2cccc2)cc1.Nc1ncnc2c1cnn2-c1ccc(-n2cccn2)cc1.Nc1ncnc2c1cnn2-c1ccccc1.

What is the InChIKey of 1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methylpentanamide;1-[3-[1-(2-methoxyethyl)imidazol-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-phenylpyrazolo[3,4-d]pyrimidin-4-amine;1-(4-pyrazol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-pyrrol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is YSJUBKOAFQIKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O.C17H20N6O.C16H14N8O.C16H13N7O.C15H12N6.C14H11N7.C11H9N5/c1-25-6-5-23-9-15(21-11-23)12-3-2-4-13(7-12)24-17-14(8-22-24)16(18)19-10-20-17;1-3-11(2)7-15(24)22-12-5-4-6-13(8-12)23-17-14(9-21-23)16(18)19-10-20-17;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;1-10(24)22-7-14(20-9-22)11-3-2-4-12(5-11)23-16-13(6-21-23)15(17)18-8-19-16;16-14-13-9-19-21(15(13)18-10-17-14)12-5-3-11(4-6-12)20-7-1-2-8-20;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;12-10-9-6-15-16(11(9)14-7-13-10)8-4-2-1-3-5-8/h2-4,7-11H,5-6H2,1H3,(H2,18,19,20);4-6,8-11H,3,7H2,1-2H3,(H,22,24)(H2,18,19,20);2-9H,1H3,(H,22,25)(H2,17,19,20);2-9H,1H3,(H2,17,18,19);1-10H,(H2,16,17,18);1-9H,(H2,15,16,17);1-7H,(H2,12,13,14).

What are the key properties of 1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methylpentanamide;1-[3-[1-(2-methoxyethyl)imidazol-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-phenylpyrazolo[3,4-d]pyrimidin-4-amine;1-(4-pyrazol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-pyrrol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methylpentanamide;1-[3-[1-(2-methoxyethyl)imidazol-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-phenylpyrazolo[3,4-d]pyrimidin-4-amine;1-(4-pyrazol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-pyrrol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 2078.25 g/mol, XLogP of 13.15, 20 rotatable bonds, 9 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methylpentanamide;1-[3-[1-(2-methoxyethyl)imidazol-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-phenylpyrazolo[3,4-d]pyrimidin-4-amine;1-(4-pyrazol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-pyrrol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 162002423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).