3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzamide;3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzoic acid;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-(1,3-benzothiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

C101H81N49O4S — CID 157053137

About 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzamide;3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzoic acid;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-(1,3-benzothiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)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;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-(1,3-benzothiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 157053137) has the molecular formula C101H81N49O4S and a molecular weight of 2077.16 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;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-(1,3-benzothiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)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;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-(1,3-benzothiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 157053137
• Molecular Formula: C101H81N49O4S
• Molecular Weight: 2077.16 g/mol
• Exact Mass: 2075.74
• IUPAC Name: 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzamide;3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzoic acid;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-(1,3-benzothiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: Cc1cccc(-n2ncc3c(N)ncnc32)c1.Cn1ccnc1C(=O)Nc1ccc(-n2ncc3c(N)ncnc32)cc1.NC(=O)c1cccc(-n2ncc3c(N)ncnc32)c1.Nc1ncnc2c1cnn2-c1ccc2[nH]ncc2c1.Nc1ncnc2c1cnn2-c1cccc(-c2cnc[nH]2)c1.Nc1ncnc2c1cnn2-c1cccc(C(=O)O)c1.Nc1ncnc2c1cnn2-c1ccccc1.Nc1ncnc2c1cnn2-c1nc2ccccc2s1
• InChI: InChI=1S/C16H14N8O.C14H11N7.C12H9N7.C12H10N6O.C12H8N6S.C12H9N5O2.C12H11N5.C11H9N5/c1-23-7-6-18-15(23)16(25)22-10-2-4-11(5-3-10)24-14-12(8-21-24)13(17)19-9-20-14;15-13-11-5-20-21(14(11)19-8-18-13)10-3-1-2-9(4-10)12-6-16-7-17-12;13-11-9-5-17-19(12(9)15-6-14-11)8-1-2-10-7(3-8)4-16-18-10;13-10-9-5-17-18(12(9)16-6-15-10)8-3-1-2-7(4-8)11(14)19;13-10-7-5-16-18(11(7)15-6-14-10)12-17-8-3-1-2-4-9(8)19-12;13-10-9-5-16-17(11(9)15-6-14-10)8-3-1-2-7(4-8)12(18)19;1-8-3-2-4-9(5-8)17-12-10(6-16-17)11(13)14-7-15-12;12-10-9-6-15-16(11(9)14-7-13-10)8-4-2-1-3-5-8/h2-9H,1H3,(H,22,25)(H2,17,19,20);1-8H,(H,16,17)(H2,15,18,19);1-6H,(H,16,18)(H2,13,14,15);1-6H,(H2,14,19)(H2,13,15,16);1-6H,(H2,13,14,15);1-6H,(H,18,19)(H2,13,14,15);2-7H,1H3,(H2,13,14,15);1-7H,(H2,12,13,14)
• InChIKey: AALDLPIGJGVUBT-UHFFFAOYSA-N
• XLogP: 11.15
• TPSA: 754.52 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 49
• Rotatable Bonds: 13
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2077.16
LogP ≤ 5	11.15
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	49

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;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-(1,3-benzothiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)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;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-(1,3-benzothiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (CID 157053137) is 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzamide;3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzoic acid;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-(1,3-benzothiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)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;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-(1,3-benzothiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)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;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-(1,3-benzothiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1cccc(-n2ncc3c(N)ncnc32)c1.Cn1ccnc1C(=O)Nc1ccc(-n2ncc3c(N)ncnc32)cc1.NC(=O)c1cccc(-n2ncc3c(N)ncnc32)c1.Nc1ncnc2c1cnn2-c1ccc2[nH]ncc2c1.Nc1ncnc2c1cnn2-c1cccc(-c2cnc[nH]2)c1.Nc1ncnc2c1cnn2-c1cccc(C(=O)O)c1.Nc1ncnc2c1cnn2-c1ccccc1.Nc1ncnc2c1cnn2-c1nc2ccccc2s1.

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;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-(1,3-benzothiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is AALDLPIGJGVUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N8O.C14H11N7.C12H9N7.C12H10N6O.C12H8N6S.C12H9N5O2.C12H11N5.C11H9N5/c1-23-7-6-18-15(23)16(25)22-10-2-4-11(5-3-10)24-14-12(8-21-24)13(17)19-9-20-14;15-13-11-5-20-21(14(11)19-8-18-13)10-3-1-2-9(4-10)12-6-16-7-17-12;13-11-9-5-17-19(12(9)15-6-14-11)8-1-2-10-7(3-8)4-16-18-10;13-10-9-5-17-18(12(9)16-6-15-10)8-3-1-2-7(4-8)11(14)19;13-10-7-5-16-18(11(7)15-6-14-10)12-17-8-3-1-2-4-9(8)19-12;13-10-9-5-16-17(11(9)15-6-14-10)8-3-1-2-7(4-8)12(18)19;1-8-3-2-4-9(5-8)17-12-10(6-16-17)11(13)14-7-15-12;12-10-9-6-15-16(11(9)14-7-13-10)8-4-2-1-3-5-8/h2-9H,1H3,(H,22,25)(H2,17,19,20);1-8H,(H,16,17)(H2,15,18,19);1-6H,(H,16,18)(H2,13,14,15);1-6H,(H2,14,19)(H2,13,15,16);1-6H,(H2,13,14,15);1-6H,(H,18,19)(H2,13,14,15);2-7H,1H3,(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;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-(1,3-benzothiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)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;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-(1,3-benzothiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-phenylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 2077.16 g/mol, XLogP of 11.15, 13 rotatable bonds, 13 hydrogen bond donors, and 49 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;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-(1,3-benzothiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 157053137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).