N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)pyrimidin-2-yl]-3-methylpentanamide;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

C59H53ClN32OS — CID 158931716

About N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)pyrimidin-2-yl]-3-methylpentanamide;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)pyrimidin-2-yl]-3-methylpentanamide;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 158931716) has the molecular formula C59H53ClN32OS and a molecular weight of 1293.82 g/mol. Its IUPAC name is N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)pyrimidin-2-yl]-3-methylpentanamide;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)pyrimidin-2-yl]-3-methylpentanamide;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 158931716
• Molecular Formula: C59H53ClN32OS
• Molecular Weight: 1293.82 g/mol
• Exact Mass: 1292.45
• IUPAC Name: N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)pyrimidin-2-yl]-3-methylpentanamide;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: CCC(C)CC(=O)Nc1nccc(-n2ncc3c(N)ncnc32)n1.CSc1nccc(-n2ncc3c(N)ncnc32)n1.Nc1ncnc2c1cnn2-c1ccc2[nH]ccc2c1.Nc1ncnc2c1cnn2-c1cccc(Cl)c1.Nc1ncnc2c1cnn2-c1ccncc1
• InChI: InChI=1S/C15H18N8O.C13H10N6.C11H8ClN5.C10H9N7S.C10H8N6/c1-3-9(2)6-12(24)22-15-17-5-4-11(21-15)23-14-10(7-20-23)13(16)18-8-19-14;14-12-10-6-18-19(13(10)17-7-16-12)9-1-2-11-8(5-9)3-4-15-11;12-7-2-1-3-8(4-7)17-11-9(5-16-17)10(13)14-6-15-11;1-18-10-12-3-2-7(16-10)17-9-6(4-15-17)8(11)13-5-14-9;11-9-8-5-15-16(10(8)14-6-13-9)7-1-3-12-4-2-7/h4-5,7-9H,3,6H2,1-2H3,(H2,16,18,19)(H,17,21,22,24);1-7,15H,(H2,14,16,17);1-6H,(H2,13,14,15);2-5H,1H3,(H2,11,13,14);1-6H,(H2,11,13,14)
• InChIKey: JJDLSWAMFMJSKX-UHFFFAOYSA-N
• XLogP: 7.19
• TPSA: 457.44 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 10
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1293.82
LogP ≤ 5	7.19
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)pyrimidin-2-yl]-3-methylpentanamide;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)pyrimidin-2-yl]-3-methylpentanamide;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 158931716) is N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)pyrimidin-2-yl]-3-methylpentanamide;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)pyrimidin-2-yl]-3-methylpentanamide;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)pyrimidin-2-yl]-3-methylpentanamide;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is CCC(C)CC(=O)Nc1nccc(-n2ncc3c(N)ncnc32)n1.CSc1nccc(-n2ncc3c(N)ncnc32)n1.Nc1ncnc2c1cnn2-c1ccc2[nH]ccc2c1.Nc1ncnc2c1cnn2-c1cccc(Cl)c1.Nc1ncnc2c1cnn2-c1ccncc1.

What is the InChIKey of N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)pyrimidin-2-yl]-3-methylpentanamide;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is JJDLSWAMFMJSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8O.C13H10N6.C11H8ClN5.C10H9N7S.C10H8N6/c1-3-9(2)6-12(24)22-15-17-5-4-11(21-15)23-14-10(7-20-23)13(16)18-8-19-14;14-12-10-6-18-19(13(10)17-7-16-12)9-1-2-11-8(5-9)3-4-15-11;12-7-2-1-3-8(4-7)17-11-9(5-16-17)10(13)14-6-15-11;1-18-10-12-3-2-7(16-10)17-9-6(4-15-17)8(11)13-5-14-9;11-9-8-5-15-16(10(8)14-6-13-9)7-1-3-12-4-2-7/h4-5,7-9H,3,6H2,1-2H3,(H2,16,18,19)(H,17,21,22,24);1-7,15H,(H2,14,16,17);1-6H,(H2,13,14,15);2-5H,1H3,(H2,11,13,14);1-6H,(H2,11,13,14).

What are the key properties of N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)pyrimidin-2-yl]-3-methylpentanamide;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?

N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)pyrimidin-2-yl]-3-methylpentanamide;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 1293.82 g/mol, XLogP of 7.19, 10 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)pyrimidin-2-yl]-3-methylpentanamide;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 158931716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).