3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C73H69N31OS — CID 158157349

About 3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 158157349) has the molecular formula C73H69N31OS and a molecular weight of 1428.64 g/mol. Its IUPAC name is 3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 158157349
• Molecular Formula: C73H69N31OS
• Molecular Weight: 1428.64 g/mol
• Exact Mass: 1427.60
• IUPAC Name: 3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: COc1ccc2cc(-c3nn(C)c4ncnc(N)c34)ccc2c1.Cc1c2ccc(-c3nn(C)c4ncnc(N)c34)cc2nn1C.Cc1ncc(-c2nn(C)c3ncnc(N)c23)c(C)n1.Cc1nn(C)c2cc(-c3nn(C)c4ncnc(N)c34)ccc12.Cn1nc(-c2csc3ccccc23)c2c(N)ncnc21
• InChI: InChI=1S/C17H15N5O.2C15H15N7.C14H11N5S.C12H13N7/c1-22-17-14(16(18)19-9-20-17)15(21-22)12-4-3-11-8-13(23-2)6-5-10(11)7-12;1-8-10-5-4-9(6-11(10)19-21(8)2)13-12-14(16)17-7-18-15(12)22(3)20-13;1-8-10-5-4-9(6-11(10)21(2)19-8)13-12-14(16)17-7-18-15(12)22(3)20-13;1-19-14-11(13(15)16-7-17-14)12(18-19)9-6-20-10-5-3-2-4-8(9)10;1-6-8(4-14-7(2)17-6)10-9-11(13)15-5-16-12(9)19(3)18-10/h3-9H,1-2H3,(H2,18,19,20);2*4-7H,1-3H3,(H2,16,17,18);2-7H,1H3,(H2,15,16,17);4-5H,1-3H3,(H2,13,15,16)
• InChIKey: FVVVRGBXJZTUSW-UHFFFAOYSA-N
• XLogP: 10.24
• TPSA: 418.75 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 6
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1428.64
LogP ≤ 5	10.24
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of 3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 158157349) is 3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is COc1ccc2cc(-c3nn(C)c4ncnc(N)c34)ccc2c1.Cc1c2ccc(-c3nn(C)c4ncnc(N)c34)cc2nn1C.Cc1ncc(-c2nn(C)c3ncnc(N)c23)c(C)n1.Cc1nn(C)c2cc(-c3nn(C)c4ncnc(N)c34)ccc12.Cn1nc(-c2csc3ccccc23)c2c(N)ncnc21.

What is the InChIKey of 3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is FVVVRGBXJZTUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O.2C15H15N7.C14H11N5S.C12H13N7/c1-22-17-14(16(18)19-9-20-17)15(21-22)12-4-3-11-8-13(23-2)6-5-10(11)7-12;1-8-10-5-4-9(6-11(10)19-21(8)2)13-12-14(16)17-7-18-15(12)22(3)20-13;1-8-10-5-4-9(6-11(10)21(2)19-8)13-12-14(16)17-7-18-15(12)22(3)20-13;1-19-14-11(13(15)16-7-17-14)12(18-19)9-6-20-10-5-3-2-4-8(9)10;1-6-8(4-14-7(2)17-6)10-9-11(13)15-5-16-12(9)19(3)18-10/h3-9H,1-2H3,(H2,18,19,20);2*4-7H,1-3H3,(H2,16,17,18);2-7H,1H3,(H2,15,16,17);4-5H,1-3H3,(H2,13,15,16).

What are the key properties of 3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?

3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 1428.64 g/mol, XLogP of 10.24, 6 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 158157349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).