1-(3,5-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-[1-(2-methoxyethyl)imidazol-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-phenoxyphenyl)pyrazolo[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

C97H77Cl2FN42O2 — CID 159400378

About 1-(3,5-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-[1-(2-methoxyethyl)imidazol-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-phenoxyphenyl)pyrazolo[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-(3,5-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-[1-(2-methoxyethyl)imidazol-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-phenoxyphenyl)pyrazolo[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 159400378) has the molecular formula C97H77Cl2FN42O2 and a molecular weight of 1952.88 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-[1-(2-methoxyethyl)imidazol-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-phenoxyphenyl)pyrazolo[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-(3,5-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-[1-(2-methoxyethyl)imidazol-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-phenoxyphenyl)pyrazolo[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: 159400378
• Molecular Formula: C97H77Cl2FN42O2
• Molecular Weight: 1952.88 g/mol
• Exact Mass: 1950.66
• IUPAC Name: 1-(3,5-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-[1-(2-methoxyethyl)imidazol-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-phenoxyphenyl)pyrazolo[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: COCCn1cnc(-c2cccc(-n3ncc4c(N)ncnc43)c2)c1.Nc1ncnc2c1cnn2-c1cc(Cl)cc(Cl)c1.Nc1ncnc2c1cnn2-c1ccc(-n2cccc2)cc1.Nc1ncnc2c1cnn2-c1ccc(-n2cccn2)cc1.Nc1ncnc2c1cnn2-c1ccc(F)cc1.Nc1ncnc2c1cnn2-c1ccc(Oc2ccccc2)cc1.Nc1ncnc2c1cnn2-c1ccc2cn[nH]c2c1
• InChI: InChI=1S/C17H17N7O.C17H13N5O.C15H12N6.C14H11N7.C12H9N7.C11H7Cl2N5.C11H8FN5/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;18-16-15-10-21-22(17(15)20-11-19-16)12-6-8-14(9-7-12)23-13-4-2-1-3-5-13;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;13-11-9-5-17-19(12(9)15-6-14-11)8-2-1-7-4-16-18-10(7)3-8;12-6-1-7(13)3-8(2-6)18-11-9(4-17-18)10(14)15-5-16-11;12-7-1-3-8(4-2-7)17-11-9(5-16-17)10(13)14-6-15-11/h2-4,7-11H,5-6H2,1H3,(H2,18,19,20);1-11H,(H2,18,19,20);1-10H,(H2,16,17,18);1-9H,(H2,15,16,17);1-6H,(H,16,18)(H2,13,14,15);1-5H,(H2,14,15,16);1-6H,(H2,13,14,15)
• InChIKey: LNGLXDOXMFTDOL-UHFFFAOYSA-N
• XLogP: 14.38
• TPSA: 575.05 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 43
• Rotatable Bonds: 15
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1952.88
LogP ≤ 5	14.38
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-[1-(2-methoxyethyl)imidazol-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-phenoxyphenyl)pyrazolo[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-(3,5-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-[1-(2-methoxyethyl)imidazol-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-phenoxyphenyl)pyrazolo[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 159400378) is 1-(3,5-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-[1-(2-methoxyethyl)imidazol-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-phenoxyphenyl)pyrazolo[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-(3,5-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-[1-(2-methoxyethyl)imidazol-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-phenoxyphenyl)pyrazolo[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-(3,5-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-[1-(2-methoxyethyl)imidazol-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-phenoxyphenyl)pyrazolo[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 COCCn1cnc(-c2cccc(-n3ncc4c(N)ncnc43)c2)c1.Nc1ncnc2c1cnn2-c1cc(Cl)cc(Cl)c1.Nc1ncnc2c1cnn2-c1ccc(-n2cccc2)cc1.Nc1ncnc2c1cnn2-c1ccc(-n2cccn2)cc1.Nc1ncnc2c1cnn2-c1ccc(F)cc1.Nc1ncnc2c1cnn2-c1ccc(Oc2ccccc2)cc1.Nc1ncnc2c1cnn2-c1ccc2cn[nH]c2c1.

What is the InChIKey of 1-(3,5-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-[1-(2-methoxyethyl)imidazol-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-phenoxyphenyl)pyrazolo[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 LNGLXDOXMFTDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O.C17H13N5O.C15H12N6.C14H11N7.C12H9N7.C11H7Cl2N5.C11H8FN5/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;18-16-15-10-21-22(17(15)20-11-19-16)12-6-8-14(9-7-12)23-13-4-2-1-3-5-13;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;13-11-9-5-17-19(12(9)15-6-14-11)8-2-1-7-4-16-18-10(7)3-8;12-6-1-7(13)3-8(2-6)18-11-9(4-17-18)10(14)15-5-16-11;12-7-1-3-8(4-2-7)17-11-9(5-16-17)10(13)14-6-15-11/h2-4,7-11H,5-6H2,1H3,(H2,18,19,20);1-11H,(H2,18,19,20);1-10H,(H2,16,17,18);1-9H,(H2,15,16,17);1-6H,(H,16,18)(H2,13,14,15);1-5H,(H2,14,15,16);1-6H,(H2,13,14,15).

What are the key properties of 1-(3,5-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-[1-(2-methoxyethyl)imidazol-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-phenoxyphenyl)pyrazolo[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-(3,5-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-[1-(2-methoxyethyl)imidazol-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-phenoxyphenyl)pyrazolo[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 1952.88 g/mol, XLogP of 14.38, 15 rotatable bonds, 8 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,5-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-[1-(2-methoxyethyl)imidazol-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-phenoxyphenyl)pyrazolo[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 159400378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).