3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-chlorophenol;3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C75H66ClF3N32O4 — CID 159412430

About 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-chlorophenol;3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-chlorophenol;3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 159412430) has the molecular formula C75H66ClF3N32O4 and a molecular weight of 1572.02 g/mol. Its IUPAC name is 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-chlorophenol;3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-chlorophenol;3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 159412430
• Molecular Formula: C75H66ClF3N32O4
• Molecular Weight: 1572.02 g/mol
• Exact Mass: 1570.56
• IUPAC Name: 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-chlorophenol;3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: COc1cc(F)cc(-c2nn(C)c3ncnc(N)c23)c1.Cc1cccc(-c2nn(C)c3ncnc(N)c23)c1.Cn1nc(-c2cc(O)cc(Cl)c2)c2c(N)ncnc21.Cn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21.Cn1nc(-c2ccc(O)c(F)c2)c2c(N)ncnc21.Cn1nc(-c2ccc3cn[nH]c3c2)c2c(N)ncnc21
• InChI: InChI=1S/C13H12FN5O.C13H11N7.C13H13N5.C12H10ClN5O.2C12H10FN5O/c1-19-13-10(12(15)16-6-17-13)11(18-19)7-3-8(14)5-9(4-7)20-2;1-20-13-10(12(14)15-6-16-13)11(19-20)7-2-3-8-5-17-18-9(8)4-7;1-8-4-3-5-9(6-8)11-10-12(14)15-7-16-13(10)18(2)17-11;2*1-18-12-9(11(14)15-5-16-12)10(17-18)6-2-7(13)4-8(19)3-6;1-18-12-9(11(14)15-5-16-12)10(17-18)6-2-3-8(19)7(13)4-6/h3-6H,1-2H3,(H2,15,16,17);2-6H,1H3,(H,17,18)(H2,14,15,16);3-7H,1-2H3,(H2,14,15,16);3*2-5,19H,1H3,(H2,14,15,16)
• InChIKey: LOSYGVILHMFGRE-UHFFFAOYSA-N
• XLogP: 10.06
• TPSA: 516.32 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 35
• Rotatable Bonds: 7
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1572.02
LogP ≤ 5	10.06
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-chlorophenol;3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-chlorophenol;3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 159412430) is 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-chlorophenol;3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-chlorophenol;3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-chlorophenol;3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is COc1cc(F)cc(-c2nn(C)c3ncnc(N)c23)c1.Cc1cccc(-c2nn(C)c3ncnc(N)c23)c1.Cn1nc(-c2cc(O)cc(Cl)c2)c2c(N)ncnc21.Cn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21.Cn1nc(-c2ccc(O)c(F)c2)c2c(N)ncnc21.Cn1nc(-c2ccc3cn[nH]c3c2)c2c(N)ncnc21.

What is the InChIKey of 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-chlorophenol;3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is LOSYGVILHMFGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5O.C13H11N7.C13H13N5.C12H10ClN5O.2C12H10FN5O/c1-19-13-10(12(15)16-6-17-13)11(18-19)7-3-8(14)5-9(4-7)20-2;1-20-13-10(12(14)15-6-16-13)11(19-20)7-2-3-8-5-17-18-9(8)4-7;1-8-4-3-5-9(6-8)11-10-12(14)15-7-16-13(10)18(2)17-11;2*1-18-12-9(11(14)15-5-16-12)10(17-18)6-2-7(13)4-8(19)3-6;1-18-12-9(11(14)15-5-16-12)10(17-18)6-2-3-8(19)7(13)4-6/h3-6H,1-2H3,(H2,15,16,17);2-6H,1H3,(H,17,18)(H2,14,15,16);3-7H,1-2H3,(H2,14,15,16);3*2-5,19H,1H3,(H2,14,15,16).

What are the key properties of 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-chlorophenol;3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-chlorophenol;3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 1572.02 g/mol, XLogP of 10.06, 7 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-chlorophenol;3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 159412430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).