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

C100H93ClF2N46O4 — CID 158587616

About 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-chlorophenol;2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[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;2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 158587616) has the molecular formula C100H93ClF2N46O4 and a molecular weight of 2076.61 g/mol. Its IUPAC name is 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-chlorophenol;2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[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;2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 158587616
• Molecular Formula: C100H93ClF2N46O4
• Molecular Weight: 2076.61 g/mol
• Exact Mass: 2074.81
• IUPAC Name: 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-chlorophenol;2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[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.Cc1[nH]nc2cc(-c3nn(C)c4ncnc(N)c34)ccc12.Cc1cccc(-c2nn(C)c3ncnc(N)c23)c1.Cc1n[nH]c(C)c1-c1nn(C)c2ncnc(N)c12.Cn1nc(-c2cc(O)cc(Cl)c2)c2c(N)ncnc21.Cn1nc(-c2ccc(F)cc2O)c2c(N)ncnc21.Cn1nc(-c2ccc(O)cc2)c2c(N)ncnc21.Cn1nc(-c2cccc3[nH]ncc23)c2c(N)ncnc21
• InChI: InChI=1S/C14H13N7.C13H12FN5O.C13H11N7.C13H13N5.C12H10ClN5O.C12H10FN5O.C12H11N5O.C11H13N7/c1-7-9-4-3-8(5-10(9)19-18-7)12-11-13(15)16-6-17-14(11)21(2)20-12;1-19-13-10(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)7-3-2-4-9-8(7)5-17-18-9;1-8-4-3-5-9(6-8)11-10-12(14)15-7-16-13(10)18(2)17-11;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)7-3-2-6(13)4-8(7)19;1-17-12-9(11(13)14-6-15-12)10(16-17)7-2-4-8(18)5-3-7;1-5-7(6(2)16-15-5)9-8-10(12)13-4-14-11(8)18(3)17-9/h3-6H,1-2H3,(H,18,19)(H2,15,16,17);3-6H,1-2H3,(H2,15,16,17);2-6H,1H3,(H,17,18)(H2,14,15,16);3-7H,1-2H3,(H2,14,15,16);2*2-5,19H,1H3,(H2,14,15,16);2-6,18H,1H3,(H2,13,14,15);4H,1-3H3,(H,15,16)(H2,12,13,14)
• InChIKey: HUAIAADCAWTCDA-UHFFFAOYSA-N
• XLogP: 12.67
• TPSA: 712.92 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 47
• Rotatable Bonds: 9
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2076.61
LogP ≤ 5	12.67
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	47

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-chlorophenol;2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[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;2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 158587616) is 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-chlorophenol;2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[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;2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[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;2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[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.Cc1[nH]nc2cc(-c3nn(C)c4ncnc(N)c34)ccc12.Cc1cccc(-c2nn(C)c3ncnc(N)c23)c1.Cc1n[nH]c(C)c1-c1nn(C)c2ncnc(N)c12.Cn1nc(-c2cc(O)cc(Cl)c2)c2c(N)ncnc21.Cn1nc(-c2ccc(F)cc2O)c2c(N)ncnc21.Cn1nc(-c2ccc(O)cc2)c2c(N)ncnc21.Cn1nc(-c2cccc3[nH]ncc23)c2c(N)ncnc21.

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

The InChIKey is HUAIAADCAWTCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7.C13H12FN5O.C13H11N7.C13H13N5.C12H10ClN5O.C12H10FN5O.C12H11N5O.C11H13N7/c1-7-9-4-3-8(5-10(9)19-18-7)12-11-13(15)16-6-17-14(11)21(2)20-12;1-19-13-10(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)7-3-2-4-9-8(7)5-17-18-9;1-8-4-3-5-9(6-8)11-10-12(14)15-7-16-13(10)18(2)17-11;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)7-3-2-6(13)4-8(7)19;1-17-12-9(11(13)14-6-15-12)10(16-17)7-2-4-8(18)5-3-7;1-5-7(6(2)16-15-5)9-8-10(12)13-4-14-11(8)18(3)17-9/h3-6H,1-2H3,(H,18,19)(H2,15,16,17);3-6H,1-2H3,(H2,15,16,17);2-6H,1H3,(H,17,18)(H2,14,15,16);3-7H,1-2H3,(H2,14,15,16);2*2-5,19H,1H3,(H2,14,15,16);2-6,18H,1H3,(H2,13,14,15);4H,1-3H3,(H,15,16)(H2,12,13,14).

What are the key properties of 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-chlorophenol;2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[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;2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 2076.61 g/mol, XLogP of 12.67, 9 rotatable bonds, 14 hydrogen bond donors, and 47 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;2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 158587616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).