3-[5-(aminomethyl)thiophen-2-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-1H-indol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methylpyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C72H70N38OS2 — CID 157148385

About 3-[5-(aminomethyl)thiophen-2-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-1H-indol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methylpyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine

3-[5-(aminomethyl)thiophen-2-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-1H-indol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methylpyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 157148385) has the molecular formula C72H70N38OS2 and a molecular weight of 1547.75 g/mol. Its IUPAC name is 3-[5-(aminomethyl)thiophen-2-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-1H-indol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methylpyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 3-[5-(aminomethyl)thiophen-2-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-1H-indol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methylpyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 157148385
• Molecular Formula: C72H70N38OS2
• Molecular Weight: 1547.75 g/mol
• Exact Mass: 1546.60
• IUPAC Name: 3-[5-(aminomethyl)thiophen-2-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-1H-indol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methylpyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: COc1cc(-c2nn(C)c3ncnc(N)c23)cs1.Cc1c[nH]c2cc(-c3nn(C)c4ncnc(N)c34)ccc12.Cc1ncc(-c2nn(C)c3ncnc(N)c23)cn1.Cn1nc(-c2ccc(CN)s2)c2c(N)ncnc21.Cn1nc(-c2ccc3cc[nH]c3c2)c2c(N)ncnc21.Cn1nc(-c2cnc(N)nc2)c2c(N)ncnc21
• InChI: InChI=1S/C15H14N6.C14H12N6.C11H11N7.C11H12N6S.C11H11N5OS.C10H10N8/c1-8-6-17-11-5-9(3-4-10(8)11)13-12-14(16)18-7-19-15(12)21(2)20-13;1-20-14-11(13(15)17-7-18-14)12(19-20)9-3-2-8-4-5-16-10(8)6-9;1-6-13-3-7(4-14-6)9-8-10(12)15-5-16-11(8)18(2)17-9;1-17-11-8(10(13)14-5-15-11)9(16-17)7-3-2-6(4-12)18-7;1-16-11-8(10(12)13-5-14-11)9(15-16)6-3-7(17-2)18-4-6;1-18-9-6(8(11)15-4-16-9)7(17-18)5-2-13-10(12)14-3-5/h3-7,17H,1-2H3,(H2,16,18,19);2-7,16H,1H3,(H2,15,17,18);3-5H,1-2H3,(H2,12,15,16);2-3,5H,4,12H2,1H3,(H2,13,14,15);3-5H,1-2H3,(H2,12,13,14);2-4H,1H3,(H2,11,15,16)(H2,12,13,14)
• InChIKey: AKYXLLPUTSKWDQ-UHFFFAOYSA-N
• XLogP: 8.01
• TPSA: 562.13 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 39
• Rotatable Bonds: 8
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1547.75
LogP ≤ 5	8.01
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 3-[5-(aminomethyl)thiophen-2-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-1H-indol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methylpyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of 3-[5-(aminomethyl)thiophen-2-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-1H-indol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methylpyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 157148385) is 3-[5-(aminomethyl)thiophen-2-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-1H-indol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methylpyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 3-[5-(aminomethyl)thiophen-2-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-1H-indol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methylpyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 3-[5-(aminomethyl)thiophen-2-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-1H-indol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methylpyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine is COc1cc(-c2nn(C)c3ncnc(N)c23)cs1.Cc1c[nH]c2cc(-c3nn(C)c4ncnc(N)c34)ccc12.Cc1ncc(-c2nn(C)c3ncnc(N)c23)cn1.Cn1nc(-c2ccc(CN)s2)c2c(N)ncnc21.Cn1nc(-c2ccc3cc[nH]c3c2)c2c(N)ncnc21.Cn1nc(-c2cnc(N)nc2)c2c(N)ncnc21.

What is the InChIKey of 3-[5-(aminomethyl)thiophen-2-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-1H-indol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methylpyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is AKYXLLPUTSKWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6.C14H12N6.C11H11N7.C11H12N6S.C11H11N5OS.C10H10N8/c1-8-6-17-11-5-9(3-4-10(8)11)13-12-14(16)18-7-19-15(12)21(2)20-13;1-20-14-11(13(15)17-7-18-14)12(19-20)9-3-2-8-4-5-16-10(8)6-9;1-6-13-3-7(4-14-6)9-8-10(12)15-5-16-11(8)18(2)17-9;1-17-11-8(10(13)14-5-15-11)9(16-17)7-3-2-6(4-12)18-7;1-16-11-8(10(12)13-5-14-11)9(15-16)6-3-7(17-2)18-4-6;1-18-9-6(8(11)15-4-16-9)7(17-18)5-2-13-10(12)14-3-5/h3-7,17H,1-2H3,(H2,16,18,19);2-7,16H,1H3,(H2,15,17,18);3-5H,1-2H3,(H2,12,15,16);2-3,5H,4,12H2,1H3,(H2,13,14,15);3-5H,1-2H3,(H2,12,13,14);2-4H,1H3,(H2,11,15,16)(H2,12,13,14).

What are the key properties of 3-[5-(aminomethyl)thiophen-2-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-1H-indol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methylpyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine?

3-[5-(aminomethyl)thiophen-2-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-1H-indol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methylpyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 1547.75 g/mol, XLogP of 8.01, 8 rotatable bonds, 10 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(aminomethyl)thiophen-2-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-1H-indol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methylpyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 157148385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).