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;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)propan-1-ol;3-(3-fluoro-4-methylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluorophenyl)-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

C96H89F5N42O4 — CID 157221945

About 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;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)propan-1-ol;3-(3-fluoro-4-methylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluorophenyl)-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-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)propan-1-ol;3-(3-fluoro-4-methylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluorophenyl)-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 157221945) has the molecular formula C96H89F5N42O4 and a molecular weight of 1990.05 g/mol. Its IUPAC name is 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;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)propan-1-ol;3-(3-fluoro-4-methylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluorophenyl)-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-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)propan-1-ol;3-(3-fluoro-4-methylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluorophenyl)-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: 157221945
• Molecular Formula: C96H89F5N42O4
• Molecular Weight: 1990.05 g/mol
• Exact Mass: 1988.80
• IUPAC Name: 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;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)propan-1-ol;3-(3-fluoro-4-methylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluorophenyl)-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: Cc1ccc(-c2nn(C)c3ncnc(N)c23)cc1F.Cc1cccc(-c2nn(C)c3ncnc(N)c23)c1.Cn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21.Cn1nc(-c2ccc(F)c(O)c2)c2c(N)ncnc21.Cn1nc(-c2ccc(O)c(F)c2)c2c(N)ncnc21.Cn1nc(-c2ccc3cn[nH]c3c2)c2c(N)ncnc21.Cn1nc(-c2cccc(F)c2)c2c(N)ncnc21.Cn1nc(CCCO)c2c(N)ncnc21
• InChI: InChI=1S/C13H12FN5.C13H11N7.C13H13N5.3C12H10FN5O.C12H10FN5.C9H13N5O/c1-7-3-4-8(5-9(7)14)11-10-12(15)16-6-17-13(10)19(2)18-11;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;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;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)7-3-2-4-8(13)5-7;1-14-9-7(8(10)11-5-12-9)6(13-14)3-2-4-15/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);2-6H,1H3,(H2,14,15,16);5,15H,2-4H2,1H3,(H2,10,11,12)
• InChIKey: ATCDWLUXUPGGRH-UHFFFAOYSA-N
• XLogP: 11.46
• TPSA: 666.56 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 45
• Rotatable Bonds: 10
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1990.05
LogP ≤ 5	11.46
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of 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;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)propan-1-ol;3-(3-fluoro-4-methylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluorophenyl)-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-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)propan-1-ol;3-(3-fluoro-4-methylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluorophenyl)-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 157221945) is 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;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)propan-1-ol;3-(3-fluoro-4-methylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluorophenyl)-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-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)propan-1-ol;3-(3-fluoro-4-methylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluorophenyl)-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-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)propan-1-ol;3-(3-fluoro-4-methylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluorophenyl)-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 Cc1ccc(-c2nn(C)c3ncnc(N)c23)cc1F.Cc1cccc(-c2nn(C)c3ncnc(N)c23)c1.Cn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21.Cn1nc(-c2ccc(F)c(O)c2)c2c(N)ncnc21.Cn1nc(-c2ccc(O)c(F)c2)c2c(N)ncnc21.Cn1nc(-c2ccc3cn[nH]c3c2)c2c(N)ncnc21.Cn1nc(-c2cccc(F)c2)c2c(N)ncnc21.Cn1nc(CCCO)c2c(N)ncnc21.

What is the InChIKey of 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;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)propan-1-ol;3-(3-fluoro-4-methylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluorophenyl)-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 ATCDWLUXUPGGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5.C13H11N7.C13H13N5.3C12H10FN5O.C12H10FN5.C9H13N5O/c1-7-3-4-8(5-9(7)14)11-10-12(15)16-6-17-13(10)19(2)18-11;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;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;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)7-3-2-4-8(13)5-7;1-14-9-7(8(10)11-5-12-9)6(13-14)3-2-4-15/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);2-6H,1H3,(H2,14,15,16);5,15H,2-4H2,1H3,(H2,10,11,12).

What are the key properties of 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;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)propan-1-ol;3-(3-fluoro-4-methylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluorophenyl)-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-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)propan-1-ol;3-(3-fluoro-4-methylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluorophenyl)-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 1990.05 g/mol, XLogP of 11.46, 10 rotatable bonds, 13 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 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;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)propan-1-ol;3-(3-fluoro-4-methylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluorophenyl)-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 157221945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).