3-(1-benzothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-phenylmethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[4-(dimethylamino)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C74H71ClN26O4S2 — CID 158099700

About 3-(1-benzothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-phenylmethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[4-(dimethylamino)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

3-(1-benzothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-phenylmethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[4-(dimethylamino)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 158099700) has the molecular formula C74H71ClN26O4S2 and a molecular weight of 1488.15 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-phenylmethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[4-(dimethylamino)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 3-(1-benzothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-phenylmethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[4-(dimethylamino)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 158099700
• Molecular Formula: C74H71ClN26O4S2
• Molecular Weight: 1488.15 g/mol
• Exact Mass: 1486.53
• IUPAC Name: 3-(1-benzothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-phenylmethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[4-(dimethylamino)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: CCOc1cccc(-c2nn(C)c3ncnc(N)c23)c1.CN(C)c1ccc(-c2nn(C)c3ncnc(N)c23)cc1.Cn1nc(-c2cc3ccccc3s2)c2c(N)ncnc21.Cn1nc(-c2ccc(OCc3ccccc3)c(Cl)c2)c2c(N)ncnc21.Cn1nc(-c2ccc(S(C)(=O)=O)cc2)c2c(N)ncnc21
• InChI: InChI=1S/C19H16ClN5O.C14H16N6.C14H15N5O.C14H11N5S.C13H13N5O2S/c1-25-19-16(18(21)22-11-23-19)17(24-25)13-7-8-15(14(20)9-13)26-10-12-5-3-2-4-6-12;1-19(2)10-6-4-9(5-7-10)12-11-13(15)16-8-17-14(11)20(3)18-12;1-3-20-10-6-4-5-9(7-10)12-11-13(15)16-8-17-14(11)19(2)18-12;1-19-14-11(13(15)16-7-17-14)12(18-19)10-6-8-4-2-3-5-9(8)20-10;1-18-13-10(12(14)15-7-16-13)11(17-18)8-3-5-9(6-4-8)21(2,19)20/h2-9,11H,10H2,1H3,(H2,21,22,23);4-8H,1-3H3,(H2,15,16,17);4-8H,3H2,1-2H3,(H2,15,16,17);2-7H,1H3,(H2,15,16,17);3-7H,1-2H3,(H2,14,15,16)
• InChIKey: FPCJKYINZHEMIX-UHFFFAOYSA-N
• XLogP: 11.38
• TPSA: 403.94 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 12
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1488.15
LogP ≤ 5	11.38
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-phenylmethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[4-(dimethylamino)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of 3-(1-benzothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-phenylmethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[4-(dimethylamino)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 158099700) is 3-(1-benzothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-phenylmethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[4-(dimethylamino)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 3-(1-benzothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-phenylmethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[4-(dimethylamino)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 3-(1-benzothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-phenylmethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[4-(dimethylamino)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is CCOc1cccc(-c2nn(C)c3ncnc(N)c23)c1.CN(C)c1ccc(-c2nn(C)c3ncnc(N)c23)cc1.Cn1nc(-c2cc3ccccc3s2)c2c(N)ncnc21.Cn1nc(-c2ccc(OCc3ccccc3)c(Cl)c2)c2c(N)ncnc21.Cn1nc(-c2ccc(S(C)(=O)=O)cc2)c2c(N)ncnc21.

What is the InChIKey of 3-(1-benzothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-phenylmethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[4-(dimethylamino)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is FPCJKYINZHEMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O.C14H16N6.C14H15N5O.C14H11N5S.C13H13N5O2S/c1-25-19-16(18(21)22-11-23-19)17(24-25)13-7-8-15(14(20)9-13)26-10-12-5-3-2-4-6-12;1-19(2)10-6-4-9(5-7-10)12-11-13(15)16-8-17-14(11)20(3)18-12;1-3-20-10-6-4-5-9(7-10)12-11-13(15)16-8-17-14(11)19(2)18-12;1-19-14-11(13(15)16-7-17-14)12(18-19)10-6-8-4-2-3-5-9(8)20-10;1-18-13-10(12(14)15-7-16-13)11(17-18)8-3-5-9(6-4-8)21(2,19)20/h2-9,11H,10H2,1H3,(H2,21,22,23);4-8H,1-3H3,(H2,15,16,17);4-8H,3H2,1-2H3,(H2,15,16,17);2-7H,1H3,(H2,15,16,17);3-7H,1-2H3,(H2,14,15,16).

What are the key properties of 3-(1-benzothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-phenylmethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[4-(dimethylamino)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

3-(1-benzothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-phenylmethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[4-(dimethylamino)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 1488.15 g/mol, XLogP of 11.38, 12 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-benzothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-phenylmethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[4-(dimethylamino)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 158099700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).