3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzamide;3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzoic acid;1-(3-chlorophenyl)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-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

C97H73Cl3FN43O4 — CID 157291462

About 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzamide;3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzoic acid;1-(3-chlorophenyl)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-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzamide;3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzoic acid;1-(3-chlorophenyl)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-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 157291462) has the molecular formula C97H73Cl3FN43O4 and a molecular weight of 2030.30 g/mol. Its IUPAC name is 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzamide;3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzoic acid;1-(3-chlorophenyl)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-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzamide;3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzoic acid;1-(3-chlorophenyl)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-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 157291462
• Molecular Formula: C97H73Cl3FN43O4
• Molecular Weight: 2030.30 g/mol
• Exact Mass: 2027.59
• IUPAC Name: 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzamide;3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzoic acid;1-(3-chlorophenyl)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-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: NC(=O)c1cccc(-n2ncc3c(N)ncnc32)c1.Nc1ncnc2c1cnn2-c1cc(Cl)cc(Cl)c1.Nc1ncnc2c1cnn2-c1ccc(F)cc1.Nc1ncnc2c1cnn2-c1ccc(Oc2ccccc2)cc1.Nc1ncnc2c1cnn2-c1ccc2cn[nH]c2c1.Nc1ncnc2c1cnn2-c1cccc(C(=O)O)c1.Nc1ncnc2c1cnn2-c1cccc(Cl)c1.Nc1ncnc2c1cnn2-c1ccccc1
• InChI: InChI=1S/C17H13N5O.C12H9N7.C12H10N6O.C12H9N5O2.C11H7Cl2N5.C11H8ClN5.C11H8FN5.C11H9N5/c18-16-15-10-21-22(17(15)20-11-19-16)12-6-8-14(9-7-12)23-13-4-2-1-3-5-13;13-11-9-5-17-19(12(9)15-6-14-11)8-2-1-7-4-16-18-10(7)3-8;13-10-9-5-17-18(12(9)16-6-15-10)8-3-1-2-7(4-8)11(14)19;13-10-9-5-16-17(11(9)15-6-14-10)8-3-1-2-7(4-8)12(18)19;12-6-1-7(13)3-8(2-6)18-11-9(4-17-18)10(14)15-5-16-11;12-7-2-1-3-8(4-7)17-11-9(5-16-17)10(13)14-6-15-11;12-7-1-3-8(4-2-7)17-11-9(5-16-17)10(13)14-6-15-11;12-10-9-6-15-16(11(9)14-7-13-10)8-4-2-1-3-5-8/h1-11H,(H2,18,19,20);1-6H,(H,16,18)(H2,13,14,15);1-6H,(H2,14,19)(H2,13,15,16);1-6H,(H,18,19)(H2,13,14,15);1-5H,(H2,14,15,16);2*1-6H,(H2,13,14,15);1-7H,(H2,12,13,14)
• InChIKey: BAVWCSHJOIFYOM-UHFFFAOYSA-N
• XLogP: 13.75
• TPSA: 675.26 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 44
• Rotatable Bonds: 12
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2030.30
LogP ≤ 5	13.75
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzamide;3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzoic acid;1-(3-chlorophenyl)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-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzamide;3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzoic acid;1-(3-chlorophenyl)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-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (CID 157291462) is 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzamide;3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzoic acid;1-(3-chlorophenyl)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-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzamide;3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzoic acid;1-(3-chlorophenyl)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-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzamide;3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzoic acid;1-(3-chlorophenyl)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-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is NC(=O)c1cccc(-n2ncc3c(N)ncnc32)c1.Nc1ncnc2c1cnn2-c1cc(Cl)cc(Cl)c1.Nc1ncnc2c1cnn2-c1ccc(F)cc1.Nc1ncnc2c1cnn2-c1ccc(Oc2ccccc2)cc1.Nc1ncnc2c1cnn2-c1ccc2cn[nH]c2c1.Nc1ncnc2c1cnn2-c1cccc(C(=O)O)c1.Nc1ncnc2c1cnn2-c1cccc(Cl)c1.Nc1ncnc2c1cnn2-c1ccccc1.

What is the InChIKey of 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzamide;3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzoic acid;1-(3-chlorophenyl)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-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is BAVWCSHJOIFYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O.C12H9N7.C12H10N6O.C12H9N5O2.C11H7Cl2N5.C11H8ClN5.C11H8FN5.C11H9N5/c18-16-15-10-21-22(17(15)20-11-19-16)12-6-8-14(9-7-12)23-13-4-2-1-3-5-13;13-11-9-5-17-19(12(9)15-6-14-11)8-2-1-7-4-16-18-10(7)3-8;13-10-9-5-17-18(12(9)16-6-15-10)8-3-1-2-7(4-8)11(14)19;13-10-9-5-16-17(11(9)15-6-14-10)8-3-1-2-7(4-8)12(18)19;12-6-1-7(13)3-8(2-6)18-11-9(4-17-18)10(14)15-5-16-11;12-7-2-1-3-8(4-7)17-11-9(5-16-17)10(13)14-6-15-11;12-7-1-3-8(4-2-7)17-11-9(5-16-17)10(13)14-6-15-11;12-10-9-6-15-16(11(9)14-7-13-10)8-4-2-1-3-5-8/h1-11H,(H2,18,19,20);1-6H,(H,16,18)(H2,13,14,15);1-6H,(H2,14,19)(H2,13,15,16);1-6H,(H,18,19)(H2,13,14,15);1-5H,(H2,14,15,16);2*1-6H,(H2,13,14,15);1-7H,(H2,12,13,14).

What are the key properties of 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzamide;3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzoic acid;1-(3-chlorophenyl)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-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?

3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzamide;3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzoic acid;1-(3-chlorophenyl)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-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-phenylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 2030.30 g/mol, XLogP of 13.75, 12 rotatable bonds, 11 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzamide;3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzoic acid;1-(3-chlorophenyl)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-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 157291462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).