3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chlorophenol;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(4-aminophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-2H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C89H84Cl2N40O3S — CID 158184252

About 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chlorophenol;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(4-aminophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-2H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine

3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chlorophenol;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(4-aminophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-2H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 158184252) has the molecular formula C89H84Cl2N40O3S and a molecular weight of 1864.90 g/mol. Its IUPAC name is 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chlorophenol;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(4-aminophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-2H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chlorophenol;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(4-aminophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-2H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 158184252
• Molecular Formula: C89H84Cl2N40O3S
• Molecular Weight: 1864.90 g/mol
• Exact Mass: 1862.67
• IUPAC Name: 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chlorophenol;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(4-aminophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-2H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: Cc1[nH]nc2ccc(-c3nn(C)c4ncnc(N)c34)cc12.Cc1ccc(-c2nn(C)c3ncnc(N)c23)cc1C.Cc1nc2ccc(-c3nn(C)c4ncnc(N)c34)cc2[nH]1.Cn1nc(-c2cc(O)ccc2Cl)c2c(N)ncnc21.Cn1nc(-c2ccc(Cl)c(O)c2)c2c(N)ncnc21.Cn1nc(-c2ccc(N)cc2)c2c(N)ncnc21.Cn1nc(-c2csc(CO)c2)c2c(N)ncnc21
• InChI: InChI=1S/2C14H13N7.C14H15N5.2C12H10ClN5O.C12H12N6.C11H11N5OS/c1-7-9-5-8(3-4-10(9)19-18-7)12-11-13(15)16-6-17-14(11)21(2)20-12;1-7-18-9-4-3-8(5-10(9)19-7)12-11-13(15)16-6-17-14(11)21(2)20-12;1-8-4-5-10(6-9(8)2)12-11-13(15)16-7-17-14(11)19(3)18-12;1-18-12-9(11(14)15-5-16-12)10(17-18)7-4-6(19)2-3-8(7)13;1-18-12-9(11(14)15-5-16-12)10(17-18)6-2-3-7(13)8(19)4-6;1-18-12-9(11(14)15-6-16-12)10(17-18)7-2-4-8(13)5-3-7;1-16-11-8(10(12)13-5-14-11)9(15-16)6-2-7(3-17)18-4-6/h2*3-6H,1-2H3,(H,18,19)(H2,15,16,17);4-7H,1-3H3,(H2,15,16,17);2*2-5,19H,1H3,(H2,14,15,16);2-6H,13H2,1H3,(H2,14,15,16);2,4-5,17H,3H2,1H3,(H2,12,13,14)
• InChIKey: FYYNDWNJEBPRFU-UHFFFAOYSA-N
• XLogP: 12.13
• TPSA: 631.41 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 42
• Rotatable Bonds: 8
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1864.90
LogP ≤ 5	12.13
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chlorophenol;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(4-aminophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-2H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chlorophenol;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(4-aminophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-2H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 158184252) is 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chlorophenol;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(4-aminophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-2H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chlorophenol;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(4-aminophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-2H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chlorophenol;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(4-aminophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-2H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine is Cc1[nH]nc2ccc(-c3nn(C)c4ncnc(N)c34)cc12.Cc1ccc(-c2nn(C)c3ncnc(N)c23)cc1C.Cc1nc2ccc(-c3nn(C)c4ncnc(N)c34)cc2[nH]1.Cn1nc(-c2cc(O)ccc2Cl)c2c(N)ncnc21.Cn1nc(-c2ccc(Cl)c(O)c2)c2c(N)ncnc21.Cn1nc(-c2ccc(N)cc2)c2c(N)ncnc21.Cn1nc(-c2csc(CO)c2)c2c(N)ncnc21.

What is the InChIKey of 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chlorophenol;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(4-aminophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-2H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is FYYNDWNJEBPRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H13N7.C14H15N5.2C12H10ClN5O.C12H12N6.C11H11N5OS/c1-7-9-5-8(3-4-10(9)19-18-7)12-11-13(15)16-6-17-14(11)21(2)20-12;1-7-18-9-4-3-8(5-10(9)19-7)12-11-13(15)16-6-17-14(11)21(2)20-12;1-8-4-5-10(6-9(8)2)12-11-13(15)16-7-17-14(11)19(3)18-12;1-18-12-9(11(14)15-5-16-12)10(17-18)7-4-6(19)2-3-8(7)13;1-18-12-9(11(14)15-5-16-12)10(17-18)6-2-3-7(13)8(19)4-6;1-18-12-9(11(14)15-6-16-12)10(17-18)7-2-4-8(13)5-3-7;1-16-11-8(10(12)13-5-14-11)9(15-16)6-2-7(3-17)18-4-6/h2*3-6H,1-2H3,(H,18,19)(H2,15,16,17);4-7H,1-3H3,(H2,15,16,17);2*2-5,19H,1H3,(H2,14,15,16);2-6H,13H2,1H3,(H2,14,15,16);2,4-5,17H,3H2,1H3,(H2,12,13,14).

What are the key properties of 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chlorophenol;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(4-aminophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-2H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine?

3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chlorophenol;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(4-aminophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-2H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 1864.90 g/mol, XLogP of 12.13, 8 rotatable bonds, 13 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chlorophenol;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(4-aminophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-2H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 158184252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).