5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylbut-3-yn-2-ol;[2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanol;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-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane

C84H86F3N37O4 — CID 157116405

About 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylbut-3-yn-2-ol;[2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanol;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-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane

5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylbut-3-yn-2-ol;[2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanol;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-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane (PubChem CID 157116405) has the molecular formula C84H86F3N37O4 and a molecular weight of 1734.86 g/mol. Its IUPAC name is 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylbut-3-yn-2-ol;[2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanol;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-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane.

Molecular Properties

• Compound Name: 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylbut-3-yn-2-ol;[2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanol;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-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane
• PubChem CID: 157116405
• Molecular Formula: C84H86F3N37O4
• Molecular Weight: 1734.86 g/mol
• Exact Mass: 1733.76
• IUPAC Name: 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylbut-3-yn-2-ol;[2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanol;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-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane
• SMILES: C.Cc1ccc(-c2nn(C)c3ncnc(N)c23)cc1F.Cn1nc(-c2ccc(F)c(O)c2)c2c(N)ncnc21.Cn1nc(-c2cccc(F)c2)c2c(N)ncnc21.Cn1nc(-c2cccc3[nH]ncc23)c2c(N)ncnc21.Cn1nc(-c2ccccc2CO)c2c(N)ncnc21.Cn1nc(C#CC(C)(C)O)c2c(N)ncnc21.Cn1nc(CCCO)c2c(N)ncnc21
• InChI: InChI=1S/C13H12FN5.C13H11N7.C13H13N5O.C12H10FN5O.C12H10FN5.C11H13N5O.C9H13N5O.CH4/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)7-3-2-4-9-8(7)5-17-18-9;1-18-13-10(12(14)15-7-16-13)11(17-18)9-5-3-2-4-8(9)6-19;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;1-11(2,17)5-4-7-8-9(12)13-6-14-10(8)16(3)15-7;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);2-5,7,19H,6H2,1H3,(H2,14,15,16);2-5,19H,1H3,(H2,14,15,16);2-6H,1H3,(H2,14,15,16);6,17H,1-3H3,(H2,12,13,14);5,15H,2-4H2,1H3,(H2,10,11,12);1H4
• InChIKey: AHLMUZFILSRASY-UHFFFAOYSA-N
• XLogP: 8.44
• TPSA: 596.94 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 40
• Rotatable Bonds: 9
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1734.86
LogP ≤ 5	8.44
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylbut-3-yn-2-ol;[2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanol;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-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane?

The IUPAC name of 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylbut-3-yn-2-ol;[2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanol;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-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane (CID 157116405) is 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylbut-3-yn-2-ol;[2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanol;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-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane.

What is the SMILES notation for 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylbut-3-yn-2-ol;[2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanol;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-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane?

The canonical SMILES for 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylbut-3-yn-2-ol;[2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanol;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-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane is C.Cc1ccc(-c2nn(C)c3ncnc(N)c23)cc1F.Cn1nc(-c2ccc(F)c(O)c2)c2c(N)ncnc21.Cn1nc(-c2cccc(F)c2)c2c(N)ncnc21.Cn1nc(-c2cccc3[nH]ncc23)c2c(N)ncnc21.Cn1nc(-c2ccccc2CO)c2c(N)ncnc21.Cn1nc(C#CC(C)(C)O)c2c(N)ncnc21.Cn1nc(CCCO)c2c(N)ncnc21.

What is the InChIKey of 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylbut-3-yn-2-ol;[2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanol;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-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane?

The InChIKey is AHLMUZFILSRASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5.C13H11N7.C13H13N5O.C12H10FN5O.C12H10FN5.C11H13N5O.C9H13N5O.CH4/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)7-3-2-4-9-8(7)5-17-18-9;1-18-13-10(12(14)15-7-16-13)11(17-18)9-5-3-2-4-8(9)6-19;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;1-11(2,17)5-4-7-8-9(12)13-6-14-10(8)16(3)15-7;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);2-5,7,19H,6H2,1H3,(H2,14,15,16);2-5,19H,1H3,(H2,14,15,16);2-6H,1H3,(H2,14,15,16);6,17H,1-3H3,(H2,12,13,14);5,15H,2-4H2,1H3,(H2,10,11,12);1H4.

What are the key properties of 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylbut-3-yn-2-ol;[2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanol;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-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane?

5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylbut-3-yn-2-ol;[2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanol;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-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane has a molecular weight of 1734.86 g/mol, XLogP of 8.44, 9 rotatable bonds, 12 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylbut-3-yn-2-ol;[2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanol;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-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane is sourced from PubChem (CID 157116405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).