3-(3-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;[3-(4-ethoxy-3-fluorophenyl)-1-methylpyrazol-4-yl]methanamine;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C78H77ClF4N28O6 — CID 162255976

About 3-(3-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;[3-(4-ethoxy-3-fluorophenyl)-1-methylpyrazol-4-yl]methanamine;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

3-(3-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;[3-(4-ethoxy-3-fluorophenyl)-1-methylpyrazol-4-yl]methanamine;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 162255976) has the molecular formula C78H77ClF4N28O6 and a molecular weight of 1614.11 g/mol. Its IUPAC name is 3-(3-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;[3-(4-ethoxy-3-fluorophenyl)-1-methylpyrazol-4-yl]methanamine;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 3-(3-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;[3-(4-ethoxy-3-fluorophenyl)-1-methylpyrazol-4-yl]methanamine;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 162255976
• Molecular Formula: C78H77ClF4N28O6
• Molecular Weight: 1614.11 g/mol
• Exact Mass: 1612.62
• IUPAC Name: 3-(3-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;[3-(4-ethoxy-3-fluorophenyl)-1-methylpyrazol-4-yl]methanamine;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: CCOc1ccc(-c2nn(C)cc2CN)cc1F.COc1cc(-c2nn(C)c3ncnc(N)c23)ccc1F.COc1cc(Cl)cc(-c2nn(C)c3ncnc(N)c23)c1.COc1cc(F)cc(-c2nn(C)c3ncnc(N)c23)c1.COc1cc(F)ccc1-c1nn(C)c2ncnc(N)c12.COc1ccc(-c2nn(C)c3ncnc(N)c23)cc1
• InChI: InChI=1S/C13H12ClN5O.3C13H12FN5O.C13H16FN3O.C13H13N5O/c2*1-19-13-10(12(15)16-6-17-13)11(18-19)7-3-8(14)5-9(4-7)20-2;1-19-13-10(12(15)16-6-17-13)11(18-19)8-4-3-7(14)5-9(8)20-2;1-19-13-10(12(15)16-6-17-13)11(18-19)7-3-4-8(14)9(5-7)20-2;1-3-18-12-5-4-9(6-11(12)14)13-10(7-15)8-17(2)16-13;1-18-13-10(12(14)15-7-16-13)11(17-18)8-3-5-9(19-2)6-4-8/h4*3-6H,1-2H3,(H2,15,16,17);4-6,8H,3,7,15H2,1-2H3;3-7H,1-2H3,(H2,14,15,16)
• InChIKey: ZYPGVCRYTWOLGJ-UHFFFAOYSA-N
• XLogP: 11.26
• TPSA: 447.32 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 14
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1614.11
LogP ≤ 5	11.26
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;[3-(4-ethoxy-3-fluorophenyl)-1-methylpyrazol-4-yl]methanamine;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of 3-(3-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;[3-(4-ethoxy-3-fluorophenyl)-1-methylpyrazol-4-yl]methanamine;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 162255976) is 3-(3-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;[3-(4-ethoxy-3-fluorophenyl)-1-methylpyrazol-4-yl]methanamine;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 3-(3-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;[3-(4-ethoxy-3-fluorophenyl)-1-methylpyrazol-4-yl]methanamine;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 3-(3-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;[3-(4-ethoxy-3-fluorophenyl)-1-methylpyrazol-4-yl]methanamine;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is CCOc1ccc(-c2nn(C)cc2CN)cc1F.COc1cc(-c2nn(C)c3ncnc(N)c23)ccc1F.COc1cc(Cl)cc(-c2nn(C)c3ncnc(N)c23)c1.COc1cc(F)cc(-c2nn(C)c3ncnc(N)c23)c1.COc1cc(F)ccc1-c1nn(C)c2ncnc(N)c12.COc1ccc(-c2nn(C)c3ncnc(N)c23)cc1.

What is the InChIKey of 3-(3-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;[3-(4-ethoxy-3-fluorophenyl)-1-methylpyrazol-4-yl]methanamine;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is ZYPGVCRYTWOLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5O.3C13H12FN5O.C13H16FN3O.C13H13N5O/c2*1-19-13-10(12(15)16-6-17-13)11(18-19)7-3-8(14)5-9(4-7)20-2;1-19-13-10(12(15)16-6-17-13)11(18-19)8-4-3-7(14)5-9(8)20-2;1-19-13-10(12(15)16-6-17-13)11(18-19)7-3-4-8(14)9(5-7)20-2;1-3-18-12-5-4-9(6-11(12)14)13-10(7-15)8-17(2)16-13;1-18-13-10(12(14)15-7-16-13)11(17-18)8-3-5-9(19-2)6-4-8/h4*3-6H,1-2H3,(H2,15,16,17);4-6,8H,3,7,15H2,1-2H3;3-7H,1-2H3,(H2,14,15,16).

What are the key properties of 3-(3-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;[3-(4-ethoxy-3-fluorophenyl)-1-methylpyrazol-4-yl]methanamine;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?

3-(3-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;[3-(4-ethoxy-3-fluorophenyl)-1-methylpyrazol-4-yl]methanamine;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 1614.11 g/mol, XLogP of 11.26, 14 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;[3-(4-ethoxy-3-fluorophenyl)-1-methylpyrazol-4-yl]methanamine;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 162255976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).