N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-chlorobenzenesulfonamide;1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-6-phenoxypyridine-3-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]pyridine-2-carboxamide

C72H56ClN27O7S2 — CID 158494269

About N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-chlorobenzenesulfonamide;1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-6-phenoxypyridine-3-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]pyridine-2-carboxamide

N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-chlorobenzenesulfonamide;1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-6-phenoxypyridine-3-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]pyridine-2-carboxamide (PubChem CID 158494269) has the molecular formula C72H56ClN27O7S2 and a molecular weight of 1511.01 g/mol. Its IUPAC name is N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-chlorobenzenesulfonamide;1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-6-phenoxypyridine-3-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-chlorobenzenesulfonamide;1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-6-phenoxypyridine-3-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]pyridine-2-carboxamide
• PubChem CID: 158494269
• Molecular Formula: C72H56ClN27O7S2
• Molecular Weight: 1511.01 g/mol
• Exact Mass: 1509.40
• IUPAC Name: N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-chlorobenzenesulfonamide;1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-6-phenoxypyridine-3-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]pyridine-2-carboxamide
• SMILES: CC(=O)n1cnc(-c2cccc(-n3ncc4c(N)ncnc43)c2)c1.Nc1ncnc2c1cnn2-c1ccc(NC(=O)c2ccccn2)cc1.Nc1ncnc2c1cnn2-c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1.Nc1ncnc2c1cnn2-c1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3)nc2)cc1
• InChI: InChI=1S/C22H17N7O3S.C17H13ClN6O2S.C17H13N7O.C16H13N7O/c23-21-19-13-27-29(22(19)26-14-25-21)16-8-6-15(7-9-16)28-33(30,31)18-10-11-20(24-12-18)32-17-4-2-1-3-5-17;18-11-1-7-14(8-2-11)27(25,26)23-12-3-5-13(6-4-12)24-17-15(9-22-24)16(19)20-10-21-17;18-15-13-9-22-24(16(13)21-10-20-15)12-6-4-11(5-7-12)23-17(25)14-3-1-2-8-19-14;1-10(24)22-7-14(20-9-22)11-3-2-4-12(5-11)23-16-13(6-21-23)15(17)18-8-19-16/h1-14,28H,(H2,23,25,26);1-10,23H,(H2,19,20,21);1-10H,(H,23,25)(H2,18,20,21);2-9H,1H3,(H2,17,18,19)
• InChIKey: HJBSNDOANWMBDW-UHFFFAOYSA-N
• XLogP: 10.20
• TPSA: 469.82 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 15
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1511.01
LogP ≤ 5	10.20
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-chlorobenzenesulfonamide;1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-6-phenoxypyridine-3-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]pyridine-2-carboxamide?

The IUPAC name of N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-chlorobenzenesulfonamide;1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-6-phenoxypyridine-3-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]pyridine-2-carboxamide (CID 158494269) is N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-chlorobenzenesulfonamide;1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-6-phenoxypyridine-3-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]pyridine-2-carboxamide.

What is the SMILES notation for N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-chlorobenzenesulfonamide;1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-6-phenoxypyridine-3-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]pyridine-2-carboxamide?

The canonical SMILES for N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-chlorobenzenesulfonamide;1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-6-phenoxypyridine-3-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]pyridine-2-carboxamide is CC(=O)n1cnc(-c2cccc(-n3ncc4c(N)ncnc43)c2)c1.Nc1ncnc2c1cnn2-c1ccc(NC(=O)c2ccccn2)cc1.Nc1ncnc2c1cnn2-c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1.Nc1ncnc2c1cnn2-c1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3)nc2)cc1.

What is the InChIKey of N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-chlorobenzenesulfonamide;1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-6-phenoxypyridine-3-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]pyridine-2-carboxamide?

The InChIKey is HJBSNDOANWMBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N7O3S.C17H13ClN6O2S.C17H13N7O.C16H13N7O/c23-21-19-13-27-29(22(19)26-14-25-21)16-8-6-15(7-9-16)28-33(30,31)18-10-11-20(24-12-18)32-17-4-2-1-3-5-17;18-11-1-7-14(8-2-11)27(25,26)23-12-3-5-13(6-4-12)24-17-15(9-22-24)16(19)20-10-21-17;18-15-13-9-22-24(16(13)21-10-20-15)12-6-4-11(5-7-12)23-17(25)14-3-1-2-8-19-14;1-10(24)22-7-14(20-9-22)11-3-2-4-12(5-11)23-16-13(6-21-23)15(17)18-8-19-16/h1-14,28H,(H2,23,25,26);1-10,23H,(H2,19,20,21);1-10H,(H,23,25)(H2,18,20,21);2-9H,1H3,(H2,17,18,19).

What are the key properties of N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-chlorobenzenesulfonamide;1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-6-phenoxypyridine-3-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]pyridine-2-carboxamide?

N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-chlorobenzenesulfonamide;1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-6-phenoxypyridine-3-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 1511.01 g/mol, XLogP of 10.20, 15 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-chlorobenzenesulfonamide;1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-6-phenoxypyridine-3-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 158494269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).