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-carboxamide;3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

C111H86ClF3N52O5S2 — CID 159131500

About 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-carboxamide;3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)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)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 159131500) has the molecular formula C111H86ClF3N52O5S2 and a molecular weight of 2384.85 g/mol. Its IUPAC name is 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-carboxamide;3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)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)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 159131500
• Molecular Formula: C111H86ClF3N52O5S2
• Molecular Weight: 2384.85 g/mol
• Exact Mass: 2382.72
• IUPAC Name: 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-carboxamide;3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: COc1cccc(-n2ncc3c(N)ncnc32)c1.Nc1ncnc2c1cnn2-c1ccc(=O)[nH]n1.Nc1ncnc2c1cnn2-c1ccc(Cl)cc1.Nc1ncnc2c1cnn2-c1ccc(NC(=O)c2cccs2)cc1.Nc1ncnc2c1cnn2-c1ccc(NC(=O)c2ccsc2)cc1.Nc1ncnc2c1cnn2-c1cccc(-c2cnc[nH]2)c1.Nc1ncnc2c1cnn2-c1cccc(F)c1.Nc1ncnc2c1cnn2-c1cccc(OC(F)F)c1.Nc1ncnc2c1cnn2-c1ccncc1
• InChI: InChI=1S/2C16H12N6OS.C14H11N7.C12H9F2N5O.C12H11N5O.C11H8ClN5.C11H8FN5.C10H8N6.C9H7N7O/c17-14-13-7-20-22(15(13)19-9-18-14)12-3-1-11(2-4-12)21-16(23)10-5-6-24-8-10;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;15-13-11-5-20-21(14(11)19-8-18-13)10-3-1-2-9(4-10)12-6-16-7-17-12;13-12(14)20-8-3-1-2-7(4-8)19-11-9(5-18-19)10(15)16-6-17-11;1-18-9-4-2-3-8(5-9)17-12-10(6-16-17)11(13)14-7-15-12;12-7-1-3-8(4-2-7)17-11-9(5-16-17)10(13)14-6-15-11;12-7-2-1-3-8(4-7)17-11-9(5-16-17)10(13)14-6-15-11;11-9-8-5-15-16(10(8)14-6-13-9)7-1-3-12-4-2-7;10-8-5-3-13-16(9(5)12-4-11-8)6-1-2-7(17)15-14-6/h2*1-9H,(H,21,23)(H2,17,18,19);1-8H,(H,16,17)(H2,15,18,19);1-6,12H,(H2,15,16,17);2-7H,1H3,(H2,13,14,15);2*1-6H,(H2,13,14,15);1-6H,(H2,11,13,14);1-4H,(H,15,17)(H2,10,11,12)
• InChIKey: KGYMFDCTHHMXCG-UHFFFAOYSA-N
• XLogP: 14.48
• TPSA: 790.56 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 55
• Rotatable Bonds: 17
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2384.85
LogP ≤ 5	14.48
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	55

Frequently Asked Questions

What is the IUPAC name of 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-carboxamide;3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)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)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 159131500) is 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-carboxamide;3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)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)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)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)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is COc1cccc(-n2ncc3c(N)ncnc32)c1.Nc1ncnc2c1cnn2-c1ccc(=O)[nH]n1.Nc1ncnc2c1cnn2-c1ccc(Cl)cc1.Nc1ncnc2c1cnn2-c1ccc(NC(=O)c2cccs2)cc1.Nc1ncnc2c1cnn2-c1ccc(NC(=O)c2ccsc2)cc1.Nc1ncnc2c1cnn2-c1cccc(-c2cnc[nH]2)c1.Nc1ncnc2c1cnn2-c1cccc(F)c1.Nc1ncnc2c1cnn2-c1cccc(OC(F)F)c1.Nc1ncnc2c1cnn2-c1ccncc1.

What is the InChIKey of 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-carboxamide;3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is KGYMFDCTHHMXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H12N6OS.C14H11N7.C12H9F2N5O.C12H11N5O.C11H8ClN5.C11H8FN5.C10H8N6.C9H7N7O/c17-14-13-7-20-22(15(13)19-9-18-14)12-3-1-11(2-4-12)21-16(23)10-5-6-24-8-10;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;15-13-11-5-20-21(14(11)19-8-18-13)10-3-1-2-9(4-10)12-6-16-7-17-12;13-12(14)20-8-3-1-2-7(4-8)19-11-9(5-18-19)10(15)16-6-17-11;1-18-9-4-2-3-8(5-9)17-12-10(6-16-17)11(13)14-7-15-12;12-7-1-3-8(4-2-7)17-11-9(5-16-17)10(13)14-6-15-11;12-7-2-1-3-8(4-7)17-11-9(5-16-17)10(13)14-6-15-11;11-9-8-5-15-16(10(8)14-6-13-9)7-1-3-12-4-2-7;10-8-5-3-13-16(9(5)12-4-11-8)6-1-2-7(17)15-14-6/h2*1-9H,(H,21,23)(H2,17,18,19);1-8H,(H,16,17)(H2,15,18,19);1-6,12H,(H2,15,16,17);2-7H,1H3,(H2,13,14,15);2*1-6H,(H2,13,14,15);1-6H,(H2,11,13,14);1-4H,(H,15,17)(H2,10,11,12).

What are the key properties of 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-carboxamide;3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)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)phenyl]thiophene-2-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 2384.85 g/mol, XLogP of 14.48, 17 rotatable bonds, 13 hydrogen bond donors, and 55 hydrogen bond acceptors.

Where does this data come from?

All data for 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-carboxamide;3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 159131500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).