N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]benzamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(3-chloro-4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C₇₆H₅₈ClFN₃₀O₅S₄ — CID 158867880

About N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]benzamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(3-chloro-4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine

N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]benzamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(3-chloro-4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 158867880) has the molecular formula C₇₆H₅₈ClFN₃₀O₅S₄ and a molecular weight of 1654.22 g/mol. Its IUPAC name is N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]benzamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(3-chloro-4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]benzamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(3-chloro-4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 158867880
• Molecular Formula: C₇₆H₅₈ClFN₃₀O₅S₄
• Molecular Weight: 1654.22 g/mol
• Exact Mass: 1652.38
• IUPAC Name: N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]benzamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(3-chloro-4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: Nc1ncnc2c1cnn2-c1ccc(F)c(Cl)c1.Nc1ncnc2c1cnn2-c1ccc(NC(=O)Nc2ccsc2)cc1.Nc1ncnc2c1cnn2-c1ccc(NC(=O)c2cccs2)cc1.Nc1ncnc2c1cnn2-c1ccc(NS(=O)(=O)c2ccsc2)cc1.Nc1ncnc2c1cnn2-c1cccc(NC(=O)c2ccccc2)c1
• InChI: InChI=1S/C18H14N6O.C16H13N7OS.C16H12N6OS.C15H12N6O2S2.C11H7ClFN5/c19-16-15-10-22-24(17(15)21-11-20-16)14-8-4-7-13(9-14)23-18(25)12-5-2-1-3-6-12;17-14-13-7-20-23(15(13)19-9-18-14)12-3-1-10(2-4-12)21-16(24)22-11-5-6-25-8-11;17-14-12-8-20-22(15(12)19-9-18-14)11-5-3-10(4-6-11)21-16(23)13-2-1-7-24-13;16-14-13-7-19-21(15(13)18-9-17-14)11-3-1-10(2-4-11)20-25(22,23)12-5-6-24-8-12;12-8-3-6(1-2-9(8)13)18-11-7(4-17-18)10(14)15-5-16-11/h1-11H,(H,23,25)(H2,19,20,21);1-9H,(H2,17,18,19)(H2,21,22,24);1-9H,(H,21,23)(H2,17,18,19);1-9,20H,(H2,16,17,18);1-5H,(H2,14,15,16)
• InChIKey: JBLZPPRQJBNRGO-UHFFFAOYSA-N
• XLogP: 12.91
• TPSA: 493.60 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 33
• Rotatable Bonds: 14
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1654.22
LogP ≤ 5	12.91
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]benzamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(3-chloro-4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]benzamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(3-chloro-4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 158867880) is N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]benzamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(3-chloro-4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]benzamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(3-chloro-4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]benzamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(3-chloro-4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1cnn2-c1ccc(F)c(Cl)c1.Nc1ncnc2c1cnn2-c1ccc(NC(=O)Nc2ccsc2)cc1.Nc1ncnc2c1cnn2-c1ccc(NC(=O)c2cccs2)cc1.Nc1ncnc2c1cnn2-c1ccc(NS(=O)(=O)c2ccsc2)cc1.Nc1ncnc2c1cnn2-c1cccc(NC(=O)c2ccccc2)c1.

What is the InChIKey of N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]benzamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(3-chloro-4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is JBLZPPRQJBNRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O.C16H13N7OS.C16H12N6OS.C15H12N6O2S2.C11H7ClFN5/c19-16-15-10-22-24(17(15)21-11-20-16)14-8-4-7-13(9-14)23-18(25)12-5-2-1-3-6-12;17-14-13-7-20-23(15(13)19-9-18-14)12-3-1-10(2-4-12)21-16(24)22-11-5-6-25-8-11;17-14-12-8-20-22(15(12)19-9-18-14)11-5-3-10(4-6-11)21-16(23)13-2-1-7-24-13;16-14-13-7-19-21(15(13)18-9-17-14)11-3-1-10(2-4-11)20-25(22,23)12-5-6-24-8-12;12-8-3-6(1-2-9(8)13)18-11-7(4-17-18)10(14)15-5-16-11/h1-11H,(H,23,25)(H2,19,20,21);1-9H,(H2,17,18,19)(H2,21,22,24);1-9H,(H,21,23)(H2,17,18,19);1-9,20H,(H2,16,17,18);1-5H,(H2,14,15,16).

What are the key properties of N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]benzamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(3-chloro-4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]benzamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(3-chloro-4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 1654.22 g/mol, XLogP of 12.91, 14 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]benzamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(3-chloro-4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 158867880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158867880 — identifiers, structure, computed properties (public domain)

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