N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(2-chloro-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-pyrazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

C88H74Cl2N44O3S2 — CID 157183865

About N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(2-chloro-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-pyrazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(2-chloro-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-pyrazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 157183865) has the molecular formula C88H74Cl2N44O3S2 and a molecular weight of 1930.90 g/mol. Its IUPAC name is N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(2-chloro-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-pyrazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(2-chloro-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-pyrazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 157183865
• Molecular Formula: C88H74Cl2N44O3S2
• Molecular Weight: 1930.90 g/mol
• Exact Mass: 1928.58
• IUPAC Name: N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(2-chloro-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-pyrazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: CCCCS(=O)(=O)Nc1cccc(-n2ncc3c(N)ncnc32)c1.Nc1ncnc2c1cnn2-c1ccc(NC(=O)Nc2ccsc2)cc1.Nc1ncnc2c1cnn2-c1ccc2[nH]ncc2c1.Nc1ncnc2c1cnn2-c1cccc(-c2ccn[nH]2)c1.Nc1ncnc2c1cnn2-c1cccc(Cl)c1.Nc1ncnc2c1cnn2-c1ccnc(Cl)c1.Nc1ncnc2c1cnn2-c1ccncc1
• InChI: InChI=1S/C16H13N7OS.C15H18N6O2S.C14H11N7.C12H9N7.C11H8ClN5.C10H7ClN6.C10H8N6/c17-14-13-7-20-23(15(13)19-9-18-14)12-3-1-10(2-4-12)21-16(24)22-11-5-6-25-8-11;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;15-13-11-7-19-21(14(11)17-8-16-13)10-3-1-2-9(6-10)12-4-5-18-20-12;13-11-9-5-17-19(12(9)15-6-14-11)8-1-2-10-7(3-8)4-16-18-10;12-7-2-1-3-8(4-7)17-11-9(5-16-17)10(13)14-6-15-11;11-8-3-6(1-2-13-8)17-10-7(4-16-17)9(12)14-5-15-10;11-9-8-5-15-16(10(8)14-6-13-9)7-1-3-12-4-2-7/h1-9H,(H2,17,18,19)(H2,21,22,24);4-6,8-10,20H,2-3,7H2,1H3,(H2,16,17,18);1-8H,(H,18,20)(H2,15,16,17);1-6H,(H,16,18)(H2,13,14,15);1-6H,(H2,13,14,15);1-5H,(H2,12,14,15);1-6H,(H2,11,13,14)
• InChIKey: AOWOAAGTDPVVJH-UHFFFAOYSA-N
• XLogP: 12.39
• TPSA: 657.78 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 43
• Rotatable Bonds: 15
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1930.90
LogP ≤ 5	12.39
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(2-chloro-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-pyrazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(2-chloro-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-pyrazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 157183865) is N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(2-chloro-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-pyrazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[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;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(2-chloro-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-pyrazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(2-chloro-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-pyrazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is CCCCS(=O)(=O)Nc1cccc(-n2ncc3c(N)ncnc32)c1.Nc1ncnc2c1cnn2-c1ccc(NC(=O)Nc2ccsc2)cc1.Nc1ncnc2c1cnn2-c1ccc2[nH]ncc2c1.Nc1ncnc2c1cnn2-c1cccc(-c2ccn[nH]2)c1.Nc1ncnc2c1cnn2-c1cccc(Cl)c1.Nc1ncnc2c1cnn2-c1ccnc(Cl)c1.Nc1ncnc2c1cnn2-c1ccncc1.

What is the InChIKey of N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(2-chloro-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-pyrazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is AOWOAAGTDPVVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7OS.C15H18N6O2S.C14H11N7.C12H9N7.C11H8ClN5.C10H7ClN6.C10H8N6/c17-14-13-7-20-23(15(13)19-9-18-14)12-3-1-10(2-4-12)21-16(24)22-11-5-6-25-8-11;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;15-13-11-7-19-21(14(11)17-8-16-13)10-3-1-2-9(6-10)12-4-5-18-20-12;13-11-9-5-17-19(12(9)15-6-14-11)8-1-2-10-7(3-8)4-16-18-10;12-7-2-1-3-8(4-7)17-11-9(5-16-17)10(13)14-6-15-11;11-8-3-6(1-2-13-8)17-10-7(4-16-17)9(12)14-5-15-10;11-9-8-5-15-16(10(8)14-6-13-9)7-1-3-12-4-2-7/h1-9H,(H2,17,18,19)(H2,21,22,24);4-6,8-10,20H,2-3,7H2,1H3,(H2,16,17,18);1-8H,(H,18,20)(H2,15,16,17);1-6H,(H,16,18)(H2,13,14,15);1-6H,(H2,13,14,15);1-5H,(H2,12,14,15);1-6H,(H2,11,13,14).

What are the key properties of N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(2-chloro-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-pyrazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?

N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(2-chloro-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-pyrazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 1930.90 g/mol, XLogP of 12.39, 15 rotatable bonds, 12 hydrogen bond donors, and 43 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;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(2-chloro-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-pyrazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 157183865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).