3-(3-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-ethoxy-3-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-morpholin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C97H98ClF3N36O7 — CID 161278831

About 3-(3-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-ethoxy-3-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-morpholin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-propan-2-yloxyphenyl)pyrazolo[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-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-morpholin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 161278831) has the molecular formula C97H98ClF3N36O7 and a molecular weight of 1972.54 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-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-morpholin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-propan-2-yloxyphenyl)pyrazolo[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-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-morpholin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 161278831
• Molecular Formula: C97H98ClF3N36O7
• Molecular Weight: 1972.54 g/mol
• Exact Mass: 1970.81
• IUPAC Name: 3-(3-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-ethoxy-3-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-morpholin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: CC(C)Oc1cccc(-c2nn(C)c3ncnc(N)c23)c1.CCOc1ccc(-c2nn(C)c3ncnc(N)c23)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.COc1cccc(-c2nn(C)c3ncnc(N)c23)c1.Cn1nc(-c2ccc(N3CCOCC3)cc2)c2c(N)ncnc21
• InChI: InChI=1S/C16H18N6O.C15H17N5O.C14H14FN5O.C13H12ClN5O.2C13H12FN5O.C13H13N5O/c1-21-16-13(15(17)18-10-19-16)14(20-21)11-2-4-12(5-3-11)22-6-8-23-9-7-22;1-9(2)21-11-6-4-5-10(7-11)13-12-14(16)17-8-18-15(12)20(3)19-13;1-3-21-10-5-4-8(6-9(10)15)12-11-13(16)17-7-18-14(11)20(2)19-12;2*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)7-3-4-8(14)9(5-7)20-2;1-18-13-10(12(14)15-7-16-13)11(17-18)8-4-3-5-9(6-8)19-2/h2-5,10H,6-9H2,1H3,(H2,17,18,19);4-9H,1-3H3,(H2,16,17,18);4-7H,3H2,1-2H3,(H2,16,17,18);3*3-6H,1-2H3,(H2,15,16,17);3-7H,1-2H3,(H2,14,15,16)
• InChIKey: VEUNHENGIAPOOQ-UHFFFAOYSA-N
• XLogP: 13.42
• TPSA: 555.19 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 43
• Rotatable Bonds: 16
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1972.54
LogP ≤ 5	13.42
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	43

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-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-morpholin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-propan-2-yloxyphenyl)pyrazolo[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-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-morpholin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 161278831) is 3-(3-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-ethoxy-3-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-morpholin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-propan-2-yloxyphenyl)pyrazolo[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-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-morpholin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-propan-2-yloxyphenyl)pyrazolo[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-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-morpholin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is CC(C)Oc1cccc(-c2nn(C)c3ncnc(N)c23)c1.CCOc1ccc(-c2nn(C)c3ncnc(N)c23)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.COc1cccc(-c2nn(C)c3ncnc(N)c23)c1.Cn1nc(-c2ccc(N3CCOCC3)cc2)c2c(N)ncnc21.

What is the InChIKey of 3-(3-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-ethoxy-3-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-morpholin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is VEUNHENGIAPOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O.C15H17N5O.C14H14FN5O.C13H12ClN5O.2C13H12FN5O.C13H13N5O/c1-21-16-13(15(17)18-10-19-16)14(20-21)11-2-4-12(5-3-11)22-6-8-23-9-7-22;1-9(2)21-11-6-4-5-10(7-11)13-12-14(16)17-8-18-15(12)20(3)19-13;1-3-21-10-5-4-8(6-9(10)15)12-11-13(16)17-7-18-14(11)20(2)19-12;2*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)7-3-4-8(14)9(5-7)20-2;1-18-13-10(12(14)15-7-16-13)11(17-18)8-4-3-5-9(6-8)19-2/h2-5,10H,6-9H2,1H3,(H2,17,18,19);4-9H,1-3H3,(H2,16,17,18);4-7H,3H2,1-2H3,(H2,16,17,18);3*3-6H,1-2H3,(H2,15,16,17);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-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-morpholin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-propan-2-yloxyphenyl)pyrazolo[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-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-morpholin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 1972.54 g/mol, XLogP of 13.42, 16 rotatable bonds, 7 hydrogen bond donors, and 43 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-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-morpholin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 161278831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).