3-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[3-(dimethylamino)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-fluoro-5-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxy-3,5-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-propoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C127H137Cl2F2N47O8 — CID 157428662

About 3-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[3-(dimethylamino)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-fluoro-5-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxy-3,5-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-propoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

3-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[3-(dimethylamino)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-fluoro-5-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxy-3,5-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-propoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 157428662) has the molecular formula C127H137Cl2F2N47O8 and a molecular weight of 2558.72 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[3-(dimethylamino)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-fluoro-5-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxy-3,5-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-propoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 3-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[3-(dimethylamino)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-fluoro-5-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxy-3,5-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-propoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 157428662
• Molecular Formula: C127H137Cl2F2N47O8
• Molecular Weight: 2558.72 g/mol
• Exact Mass: 2556.11
• IUPAC Name: 3-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[3-(dimethylamino)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-fluoro-5-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxy-3,5-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-propoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: CC(C)Oc1ccc(-c2nn(C)c3ncnc(N)c23)cc1Cl.CC(C)Oc1ccc(-c2nn(C)c3ncnc(N)c23)cc1F.CC(C)Oc1ccc(F)c(-c2nn(C)c3ncnc(N)c23)c1.CCCOc1cccc(-c2nn(C)c3ncnc(N)c23)c1.CCOc1ccc(-c2nn(C)c3ncnc(N)c23)cc1.CN(C)c1cccc(-c2nn(C)c3ncnc(N)c23)c1.COc1c(C)cc(-c2nn(C)c3ncnc(N)c23)cc1C.COc1ccc(-c2nn(C)c3ncnc(N)c23)cc1Cl.Cc1noc(C)c1-c1nn(C)c2ncnc(N)c12
• InChI: InChI=1S/C15H16ClN5O.2C15H16FN5O.2C15H17N5O.C14H16N6.C14H15N5O.C13H12ClN5O.C11H12N6O/c1-8(2)22-11-5-4-9(6-10(11)16)13-12-14(17)18-7-19-15(12)21(3)20-13;1-8(2)22-9-4-5-11(16)10(6-9)13-12-14(17)18-7-19-15(12)21(3)20-13;1-8(2)22-11-5-4-9(6-10(11)16)13-12-14(17)18-7-19-15(12)21(3)20-13;1-8-5-10(6-9(2)13(8)21-4)12-11-14(16)17-7-18-15(11)20(3)19-12;1-3-7-21-11-6-4-5-10(8-11)13-12-14(16)17-9-18-15(12)20(2)19-13;1-19(2)10-6-4-5-9(7-10)12-11-13(15)16-8-17-14(11)20(3)18-12;1-3-20-10-6-4-9(5-7-10)12-11-13(15)16-8-17-14(11)19(2)18-12;1-19-13-10(12(15)16-6-17-13)11(18-19)7-3-4-9(20-2)8(14)5-7;1-5-7(6(2)18-16-5)9-8-10(12)13-4-14-11(8)17(3)15-9/h3*4-8H,1-3H3,(H2,17,18,19);5-7H,1-4H3,(H2,16,17,18);4-6,8-9H,3,7H2,1-2H3,(H2,16,17,18);4-8H,1-3H3,(H2,15,16,17);4-8H,3H2,1-2H3,(H2,15,16,17);3-6H,1-2H3,(H2,15,16,17);4H,1-3H3,(H2,12,13,14)
• InChIKey: BQGNGZDGQCQNOY-UHFFFAOYSA-N
• XLogP: 19.95
• TPSA: 720.46 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 55
• Rotatable Bonds: 23
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2558.72
LogP ≤ 5	19.95
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	55

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[3-(dimethylamino)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-fluoro-5-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxy-3,5-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-propoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of 3-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[3-(dimethylamino)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-fluoro-5-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxy-3,5-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-propoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 157428662) is 3-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[3-(dimethylamino)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-fluoro-5-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxy-3,5-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-propoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 3-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[3-(dimethylamino)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-fluoro-5-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxy-3,5-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-propoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 3-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[3-(dimethylamino)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-fluoro-5-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxy-3,5-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-propoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is CC(C)Oc1ccc(-c2nn(C)c3ncnc(N)c23)cc1Cl.CC(C)Oc1ccc(-c2nn(C)c3ncnc(N)c23)cc1F.CC(C)Oc1ccc(F)c(-c2nn(C)c3ncnc(N)c23)c1.CCCOc1cccc(-c2nn(C)c3ncnc(N)c23)c1.CCOc1ccc(-c2nn(C)c3ncnc(N)c23)cc1.CN(C)c1cccc(-c2nn(C)c3ncnc(N)c23)c1.COc1c(C)cc(-c2nn(C)c3ncnc(N)c23)cc1C.COc1ccc(-c2nn(C)c3ncnc(N)c23)cc1Cl.Cc1noc(C)c1-c1nn(C)c2ncnc(N)c12.

What is the InChIKey of 3-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[3-(dimethylamino)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-fluoro-5-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxy-3,5-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-propoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is BQGNGZDGQCQNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O.2C15H16FN5O.2C15H17N5O.C14H16N6.C14H15N5O.C13H12ClN5O.C11H12N6O/c1-8(2)22-11-5-4-9(6-10(11)16)13-12-14(17)18-7-19-15(12)21(3)20-13;1-8(2)22-9-4-5-11(16)10(6-9)13-12-14(17)18-7-19-15(12)21(3)20-13;1-8(2)22-11-5-4-9(6-10(11)16)13-12-14(17)18-7-19-15(12)21(3)20-13;1-8-5-10(6-9(2)13(8)21-4)12-11-14(16)17-7-18-15(11)20(3)19-12;1-3-7-21-11-6-4-5-10(8-11)13-12-14(16)17-9-18-15(12)20(2)19-13;1-19(2)10-6-4-5-9(7-10)12-11-13(15)16-8-17-14(11)20(3)18-12;1-3-20-10-6-4-9(5-7-10)12-11-13(15)16-8-17-14(11)19(2)18-12;1-19-13-10(12(15)16-6-17-13)11(18-19)7-3-4-9(20-2)8(14)5-7;1-5-7(6(2)18-16-5)9-8-10(12)13-4-14-11(8)17(3)15-9/h3*4-8H,1-3H3,(H2,17,18,19);5-7H,1-4H3,(H2,16,17,18);4-6,8-9H,3,7H2,1-2H3,(H2,16,17,18);4-8H,1-3H3,(H2,15,16,17);4-8H,3H2,1-2H3,(H2,15,16,17);3-6H,1-2H3,(H2,15,16,17);4H,1-3H3,(H2,12,13,14).

What are the key properties of 3-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[3-(dimethylamino)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-fluoro-5-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxy-3,5-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-propoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

3-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[3-(dimethylamino)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-fluoro-5-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxy-3,5-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-propoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 2558.72 g/mol, XLogP of 19.95, 23 rotatable bonds, 9 hydrogen bond donors, and 55 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[3-(dimethylamino)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-fluoro-5-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxy-3,5-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-propoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 157428662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).