N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methylpentanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(4-pyrrol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C78H75N31O6S4 — CID 159108249

About N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methylpentanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(4-pyrrol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methylpentanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(4-pyrrol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 159108249) has the molecular formula C78H75N31O6S4 and a molecular weight of 1670.94 g/mol. Its IUPAC name is N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methylpentanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(4-pyrrol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methylpentanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(4-pyrrol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 159108249
• Molecular Formula: C78H75N31O6S4
• Molecular Weight: 1670.94 g/mol
• Exact Mass: 1669.54
• IUPAC Name: N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methylpentanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(4-pyrrol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: CCC(C)CC(=O)Nc1cccc(-n2ncc3c(N)ncnc32)c1.CCCCS(=O)(=O)Nc1cccc(-n2ncc3c(N)ncnc32)c1.Nc1ncnc2c1cnn2-c1ccc(-n2cccc2)cc1.Nc1ncnc2c1cnn2-c1cccc(NC(=O)Nc2ccsc2)c1.Nc1ncnc2c1cnn2-c1cccc(NS(=O)(=O)c2ccsc2)c1
• InChI: InChI=1S/C17H20N6O.C16H13N7OS.C15H12N6O2S2.C15H18N6O2S.C15H12N6/c1-3-11(2)7-15(24)22-12-5-4-6-13(8-12)23-17-14(9-21-23)16(18)19-10-20-17;17-14-13-7-20-23(15(13)19-9-18-14)12-3-1-2-10(6-12)21-16(24)22-11-4-5-25-8-11;16-14-13-7-19-21(15(13)18-9-17-14)11-3-1-2-10(6-11)20-25(22,23)12-4-5-24-8-12;1-2-3-7-24(22,23)20-11-5-4-6-12(8-11)21-15-13(9-19-21)14(16)17-10-18-15;16-14-13-9-19-21(15(13)18-10-17-14)12-5-3-11(4-6-12)20-7-1-2-8-20/h4-6,8-11H,3,7H2,1-2H3,(H,22,24)(H2,18,19,20);1-9H,(H2,17,18,19)(H2,21,22,24);1-9,20H,(H2,16,17,18);4-6,8-10,20H,2-3,7H2,1H3,(H2,16,17,18);1-10H,(H2,16,17,18)
• InChIKey: KEDUSNHNSGPFCX-UHFFFAOYSA-N
• XLogP: 12.26
• TPSA: 515.60 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 34
• Rotatable Bonds: 20
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1670.94
LogP ≤ 5	12.26
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methylpentanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(4-pyrrol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methylpentanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(4-pyrrol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 159108249) is N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methylpentanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(4-pyrrol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methylpentanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(4-pyrrol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methylpentanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(4-pyrrol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is CCC(C)CC(=O)Nc1cccc(-n2ncc3c(N)ncnc32)c1.CCCCS(=O)(=O)Nc1cccc(-n2ncc3c(N)ncnc32)c1.Nc1ncnc2c1cnn2-c1ccc(-n2cccc2)cc1.Nc1ncnc2c1cnn2-c1cccc(NC(=O)Nc2ccsc2)c1.Nc1ncnc2c1cnn2-c1cccc(NS(=O)(=O)c2ccsc2)c1.

What is the InChIKey of N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methylpentanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(4-pyrrol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is KEDUSNHNSGPFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O.C16H13N7OS.C15H12N6O2S2.C15H18N6O2S.C15H12N6/c1-3-11(2)7-15(24)22-12-5-4-6-13(8-12)23-17-14(9-21-23)16(18)19-10-20-17;17-14-13-7-20-23(15(13)19-9-18-14)12-3-1-2-10(6-12)21-16(24)22-11-4-5-25-8-11;16-14-13-7-19-21(15(13)18-9-17-14)11-3-1-2-10(6-11)20-25(22,23)12-4-5-24-8-12;1-2-3-7-24(22,23)20-11-5-4-6-12(8-11)21-15-13(9-19-21)14(16)17-10-18-15;16-14-13-9-19-21(15(13)18-10-17-14)12-5-3-11(4-6-12)20-7-1-2-8-20/h4-6,8-11H,3,7H2,1-2H3,(H,22,24)(H2,18,19,20);1-9H,(H2,17,18,19)(H2,21,22,24);1-9,20H,(H2,16,17,18);4-6,8-10,20H,2-3,7H2,1H3,(H2,16,17,18);1-10H,(H2,16,17,18).

What are the key properties of N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methylpentanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(4-pyrrol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methylpentanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(4-pyrrol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 1670.94 g/mol, XLogP of 12.26, 20 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methylpentanamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(4-pyrrol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 159108249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).