2-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine;2-[4-[4-(4-amino-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)piperazin-1-yl]phenyl]ethanol;4-[4-[7-(2-hydroxyethyl)-4-[3-(hydroxymethyl)indazol-1-yl]pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]phenol;2-(4-phenyl-1,4-diazepan-1-yl)-9-pyridin-4-ylpurin-6-amine;1-[1-[2-(4-phenylpiperazin-1-yl)-9-pyridin-4-ylpurin-6-yl]pyrrolidin-3-yl]ethenol

C116H123N39O5 — CID 164956085

About 2-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine;2-[4-[4-(4-amino-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)piperazin-1-yl]phenyl]ethanol;4-[4-[7-(2-hydroxyethyl)-4-[3-(hydroxymethyl)indazol-1-yl]pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]phenol;2-(4-phenyl-1,4-diazepan-1-yl)-9-pyridin-4-ylpurin-6-amine;1-[1-[2-(4-phenylpiperazin-1-yl)-9-pyridin-4-ylpurin-6-yl]pyrrolidin-3-yl]ethenol

2-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine;2-[4-[4-(4-amino-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)piperazin-1-yl]phenyl]ethanol;4-[4-[7-(2-hydroxyethyl)-4-[3-(hydroxymethyl)indazol-1-yl]pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]phenol;2-(4-phenyl-1,4-diazepan-1-yl)-9-pyridin-4-ylpurin-6-amine;1-[1-[2-(4-phenylpiperazin-1-yl)-9-pyridin-4-ylpurin-6-yl]pyrrolidin-3-yl]ethenol (PubChem CID 164956085) has the molecular formula C116H123N39O5 and a molecular weight of 2143.53 g/mol. Its IUPAC name is 2-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine;2-[4-[4-(4-amino-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)piperazin-1-yl]phenyl]ethanol;4-[4-[7-(2-hydroxyethyl)-4-[3-(hydroxymethyl)indazol-1-yl]pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]phenol;2-(4-phenyl-1,4-diazepan-1-yl)-9-pyridin-4-ylpurin-6-amine;1-[1-[2-(4-phenylpiperazin-1-yl)-9-pyridin-4-ylpurin-6-yl]pyrrolidin-3-yl]ethenol.

Molecular Properties

• Compound Name: 2-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine;2-[4-[4-(4-amino-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)piperazin-1-yl]phenyl]ethanol;4-[4-[7-(2-hydroxyethyl)-4-[3-(hydroxymethyl)indazol-1-yl]pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]phenol;2-(4-phenyl-1,4-diazepan-1-yl)-9-pyridin-4-ylpurin-6-amine;1-[1-[2-(4-phenylpiperazin-1-yl)-9-pyridin-4-ylpurin-6-yl]pyrrolidin-3-yl]ethenol
• PubChem CID: 164956085
• Molecular Formula: C116H123N39O5
• Molecular Weight: 2143.53 g/mol
• Exact Mass: 2142.06
• IUPAC Name: 2-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine;2-[4-[4-(4-amino-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)piperazin-1-yl]phenyl]ethanol;4-[4-[7-(2-hydroxyethyl)-4-[3-(hydroxymethyl)indazol-1-yl]pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]phenol;2-(4-phenyl-1,4-diazepan-1-yl)-9-pyridin-4-ylpurin-6-amine;1-[1-[2-(4-phenylpiperazin-1-yl)-9-pyridin-4-ylpurin-6-yl]pyrrolidin-3-yl]ethenol
• SMILES: C=C(O)C1CCN(c2nc(N3CCN(c4ccccc4)CC3)nc3c2ncn3-c2ccncc2)C1.Nc1ccc(N2CCN(c3nc(N)c4ccn(-c5ccncc5)c4n3)CC2)nc1.Nc1nc(N2CCCN(c3ccccc3)CC2)nc2c1ncn2-c1ccncc1.Nc1nc(N2CCN(c3ccc(CCO)cc3)CC2)nc2c1ccn2-c1ccncc1.OCCn1ccc2c(-n3nc(CO)c4ccccc43)nc(N3CCN(c4ccc(O)cc4)CC3)nc21
• InChI: InChI=1S/C26H28N8O.C26H27N7O3.C23H25N7O.C21H22N8.C20H21N9/c1-19(35)20-9-12-33(17-20)24-23-25(34(18-28-23)22-7-10-27-11-8-22)30-26(29-24)32-15-13-31(14-16-32)21-5-3-2-4-6-21;34-16-15-31-10-9-21-24(31)27-26(32-13-11-30(12-14-32)18-5-7-19(36)8-6-18)28-25(21)33-23-4-2-1-3-20(23)22(17-35)29-33;24-21-20-7-11-30(19-5-9-25-10-6-19)22(20)27-23(26-21)29-14-12-28(13-15-29)18-3-1-17(2-4-18)8-16-31;22-19-18-20(29(15-24-18)17-7-9-23-10-8-17)26-21(25-19)28-12-4-11-27(13-14-28)16-5-2-1-3-6-16;21-14-1-2-17(24-13-14)27-9-11-28(12-10-27)20-25-18(22)16-5-8-29(19(16)26-20)15-3-6-23-7-4-15/h2-8,10-11,18,20,35H,1,9,12-17H2;1-10,34-36H,11-17H2;1-7,9-11,31H,8,12-16H2,(H2,24,26,27);1-3,5-10,15H,4,11-14H2,(H2,22,25,26);1-8,13H,9-12,21H2,(H2,22,25,26)
• InChIKey: BEPKNBXTVJNJLR-UHFFFAOYSA-N
• XLogP: 12.19
• TPSA: 502.47 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 44
• Rotatable Bonds: 22
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2143.53
LogP ≤ 5	12.19
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine;2-[4-[4-(4-amino-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)piperazin-1-yl]phenyl]ethanol;4-[4-[7-(2-hydroxyethyl)-4-[3-(hydroxymethyl)indazol-1-yl]pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]phenol;2-(4-phenyl-1,4-diazepan-1-yl)-9-pyridin-4-ylpurin-6-amine;1-[1-[2-(4-phenylpiperazin-1-yl)-9-pyridin-4-ylpurin-6-yl]pyrrolidin-3-yl]ethenol?

The IUPAC name of 2-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine;2-[4-[4-(4-amino-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)piperazin-1-yl]phenyl]ethanol;4-[4-[7-(2-hydroxyethyl)-4-[3-(hydroxymethyl)indazol-1-yl]pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]phenol;2-(4-phenyl-1,4-diazepan-1-yl)-9-pyridin-4-ylpurin-6-amine;1-[1-[2-(4-phenylpiperazin-1-yl)-9-pyridin-4-ylpurin-6-yl]pyrrolidin-3-yl]ethenol (CID 164956085) is 2-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine;2-[4-[4-(4-amino-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)piperazin-1-yl]phenyl]ethanol;4-[4-[7-(2-hydroxyethyl)-4-[3-(hydroxymethyl)indazol-1-yl]pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]phenol;2-(4-phenyl-1,4-diazepan-1-yl)-9-pyridin-4-ylpurin-6-amine;1-[1-[2-(4-phenylpiperazin-1-yl)-9-pyridin-4-ylpurin-6-yl]pyrrolidin-3-yl]ethenol.

What is the SMILES notation for 2-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine;2-[4-[4-(4-amino-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)piperazin-1-yl]phenyl]ethanol;4-[4-[7-(2-hydroxyethyl)-4-[3-(hydroxymethyl)indazol-1-yl]pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]phenol;2-(4-phenyl-1,4-diazepan-1-yl)-9-pyridin-4-ylpurin-6-amine;1-[1-[2-(4-phenylpiperazin-1-yl)-9-pyridin-4-ylpurin-6-yl]pyrrolidin-3-yl]ethenol?

The canonical SMILES for 2-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine;2-[4-[4-(4-amino-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)piperazin-1-yl]phenyl]ethanol;4-[4-[7-(2-hydroxyethyl)-4-[3-(hydroxymethyl)indazol-1-yl]pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]phenol;2-(4-phenyl-1,4-diazepan-1-yl)-9-pyridin-4-ylpurin-6-amine;1-[1-[2-(4-phenylpiperazin-1-yl)-9-pyridin-4-ylpurin-6-yl]pyrrolidin-3-yl]ethenol is C=C(O)C1CCN(c2nc(N3CCN(c4ccccc4)CC3)nc3c2ncn3-c2ccncc2)C1.Nc1ccc(N2CCN(c3nc(N)c4ccn(-c5ccncc5)c4n3)CC2)nc1.Nc1nc(N2CCCN(c3ccccc3)CC2)nc2c1ncn2-c1ccncc1.Nc1nc(N2CCN(c3ccc(CCO)cc3)CC2)nc2c1ccn2-c1ccncc1.OCCn1ccc2c(-n3nc(CO)c4ccccc43)nc(N3CCN(c4ccc(O)cc4)CC3)nc21.

What is the InChIKey of 2-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine;2-[4-[4-(4-amino-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)piperazin-1-yl]phenyl]ethanol;4-[4-[7-(2-hydroxyethyl)-4-[3-(hydroxymethyl)indazol-1-yl]pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]phenol;2-(4-phenyl-1,4-diazepan-1-yl)-9-pyridin-4-ylpurin-6-amine;1-[1-[2-(4-phenylpiperazin-1-yl)-9-pyridin-4-ylpurin-6-yl]pyrrolidin-3-yl]ethenol?

The InChIKey is BEPKNBXTVJNJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8O.C26H27N7O3.C23H25N7O.C21H22N8.C20H21N9/c1-19(35)20-9-12-33(17-20)24-23-25(34(18-28-23)22-7-10-27-11-8-22)30-26(29-24)32-15-13-31(14-16-32)21-5-3-2-4-6-21;34-16-15-31-10-9-21-24(31)27-26(32-13-11-30(12-14-32)18-5-7-19(36)8-6-18)28-25(21)33-23-4-2-1-3-20(23)22(17-35)29-33;24-21-20-7-11-30(19-5-9-25-10-6-19)22(20)27-23(26-21)29-14-12-28(13-15-29)18-3-1-17(2-4-18)8-16-31;22-19-18-20(29(15-24-18)17-7-9-23-10-8-17)26-21(25-19)28-12-4-11-27(13-14-28)16-5-2-1-3-6-16;21-14-1-2-17(24-13-14)27-9-11-28(12-10-27)20-25-18(22)16-5-8-29(19(16)26-20)15-3-6-23-7-4-15/h2-8,10-11,18,20,35H,1,9,12-17H2;1-10,34-36H,11-17H2;1-7,9-11,31H,8,12-16H2,(H2,24,26,27);1-3,5-10,15H,4,11-14H2,(H2,22,25,26);1-8,13H,9-12,21H2,(H2,22,25,26).

What are the key properties of 2-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine;2-[4-[4-(4-amino-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)piperazin-1-yl]phenyl]ethanol;4-[4-[7-(2-hydroxyethyl)-4-[3-(hydroxymethyl)indazol-1-yl]pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]phenol;2-(4-phenyl-1,4-diazepan-1-yl)-9-pyridin-4-ylpurin-6-amine;1-[1-[2-(4-phenylpiperazin-1-yl)-9-pyridin-4-ylpurin-6-yl]pyrrolidin-3-yl]ethenol?

2-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine;2-[4-[4-(4-amino-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)piperazin-1-yl]phenyl]ethanol;4-[4-[7-(2-hydroxyethyl)-4-[3-(hydroxymethyl)indazol-1-yl]pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]phenol;2-(4-phenyl-1,4-diazepan-1-yl)-9-pyridin-4-ylpurin-6-amine;1-[1-[2-(4-phenylpiperazin-1-yl)-9-pyridin-4-ylpurin-6-yl]pyrrolidin-3-yl]ethenol has a molecular weight of 2143.53 g/mol, XLogP of 12.19, 22 rotatable bonds, 9 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine;2-[4-[4-(4-amino-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)piperazin-1-yl]phenyl]ethanol;4-[4-[7-(2-hydroxyethyl)-4-[3-(hydroxymethyl)indazol-1-yl]pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]phenol;2-(4-phenyl-1,4-diazepan-1-yl)-9-pyridin-4-ylpurin-6-amine;1-[1-[2-(4-phenylpiperazin-1-yl)-9-pyridin-4-ylpurin-6-yl]pyrrolidin-3-yl]ethenol is sourced from PubChem (CID 164956085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).