1-[3-[6-amino-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]cyclohexyl]ethanone;4-[4-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)piperazin-1-yl]phenol;6-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]hexan-2-one;1-[1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]piperidin-3-yl]ethanone;1-[1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]pyrrolidin-3-yl]ethanone

C125H144N38O9 — CID 164981462

About 1-[3-[6-amino-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]cyclohexyl]ethanone;4-[4-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)piperazin-1-yl]phenol;6-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]hexan-2-one;1-[1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]piperidin-3-yl]ethanone;1-[1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]pyrrolidin-3-yl]ethanone

1-[3-[6-amino-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]cyclohexyl]ethanone;4-[4-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)piperazin-1-yl]phenol;6-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]hexan-2-one;1-[1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]piperidin-3-yl]ethanone;1-[1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]pyrrolidin-3-yl]ethanone (PubChem CID 164981462) has the molecular formula C125H144N38O9 and a molecular weight of 2322.78 g/mol. Its IUPAC name is 1-[3-[6-amino-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]cyclohexyl]ethanone;4-[4-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)piperazin-1-yl]phenol;6-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]hexan-2-one;1-[1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]piperidin-3-yl]ethanone;1-[1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]pyrrolidin-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[3-[6-amino-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]cyclohexyl]ethanone;4-[4-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)piperazin-1-yl]phenol;6-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]hexan-2-one;1-[1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]piperidin-3-yl]ethanone;1-[1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]pyrrolidin-3-yl]ethanone
• PubChem CID: 164981462
• Molecular Formula: C125H144N38O9
• Molecular Weight: 2322.78 g/mol
• Exact Mass: 2321.20
• IUPAC Name: 1-[3-[6-amino-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]cyclohexyl]ethanone;4-[4-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)piperazin-1-yl]phenol;6-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]hexan-2-one;1-[1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]piperidin-3-yl]ethanone;1-[1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]pyrrolidin-3-yl]ethanone
• SMILES: CC(=O)C1CCCC(n2cnc3c(N)nc(N4CCN(c5ccc(O)cc5)CC4)nc32)C1.CC(=O)C1CCCN(c2nc(N3CCN(c4ccc(O)cc4)CC3)nc3c2ncn3-c2ccncc2)C1.CC(=O)C1CCN(c2nc(N3CCN(c4ccc(O)cc4)CC3)nc3c2ncn3-c2ccncc2)C1.CC(=O)CCCCn1cnc2c(-n3ncc4ccccc43)nc(N3CCN(c4ccc(O)cc4)CC3)nc21.Nc1nc(N2CCN(c3ccc(O)cc3)CC2)nc2c1ccn2C1CCNCC1
• InChI: InChI=1S/C28H30N8O2.C27H30N8O2.C26H28N8O2.C23H29N7O2.C21H27N7O/c1-20(37)6-4-5-13-35-19-29-25-26(35)31-28(32-27(25)36-24-8-3-2-7-21(24)18-30-36)34-16-14-33(15-17-34)22-9-11-23(38)12-10-22;1-19(36)20-3-2-12-34(17-20)25-24-26(35(18-29-24)22-8-10-28-11-9-22)31-27(30-25)33-15-13-32(14-16-33)21-4-6-23(37)7-5-21;1-18(35)19-8-11-33(16-19)24-23-25(34(17-28-23)21-6-9-27-10-7-21)30-26(29-24)32-14-12-31(13-15-32)20-2-4-22(36)5-3-20;1-15(31)16-3-2-4-18(13-16)30-14-25-20-21(24)26-23(27-22(20)30)29-11-9-28(10-12-29)17-5-7-19(32)8-6-17;22-19-18-7-10-28(16-5-8-23-9-6-16)20(18)25-21(24-19)27-13-11-26(12-14-27)15-1-3-17(29)4-2-15/h2-3,7-12,18-19,38H,4-6,13-17H2,1H3;4-11,18,20,37H,2-3,12-17H2,1H3;2-7,9-10,17,19,36H,8,11-16H2,1H3;5-8,14,16,18,32H,2-4,9-13H2,1H3,(H2,24,26,27);1-4,7,10,16,23,29H,5-6,8-9,11-14H2,(H2,22,24,25)
• InChIKey: FNWOZOZRRATMNJ-UHFFFAOYSA-N
• XLogP: 14.39
• TPSA: 521.09 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 47
• Rotatable Bonds: 25
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2322.78
LogP ≤ 5	14.39
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-amino-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]cyclohexyl]ethanone;4-[4-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)piperazin-1-yl]phenol;6-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]hexan-2-one;1-[1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]piperidin-3-yl]ethanone;1-[1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]pyrrolidin-3-yl]ethanone?

The IUPAC name of 1-[3-[6-amino-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]cyclohexyl]ethanone;4-[4-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)piperazin-1-yl]phenol;6-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]hexan-2-one;1-[1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]piperidin-3-yl]ethanone;1-[1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]pyrrolidin-3-yl]ethanone (CID 164981462) is 1-[3-[6-amino-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]cyclohexyl]ethanone;4-[4-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)piperazin-1-yl]phenol;6-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]hexan-2-one;1-[1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]piperidin-3-yl]ethanone;1-[1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]pyrrolidin-3-yl]ethanone.

What is the SMILES notation for 1-[3-[6-amino-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]cyclohexyl]ethanone;4-[4-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)piperazin-1-yl]phenol;6-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]hexan-2-one;1-[1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]piperidin-3-yl]ethanone;1-[1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]pyrrolidin-3-yl]ethanone?

The canonical SMILES for 1-[3-[6-amino-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]cyclohexyl]ethanone;4-[4-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)piperazin-1-yl]phenol;6-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]hexan-2-one;1-[1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]piperidin-3-yl]ethanone;1-[1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]pyrrolidin-3-yl]ethanone is CC(=O)C1CCCC(n2cnc3c(N)nc(N4CCN(c5ccc(O)cc5)CC4)nc32)C1.CC(=O)C1CCCN(c2nc(N3CCN(c4ccc(O)cc4)CC3)nc3c2ncn3-c2ccncc2)C1.CC(=O)C1CCN(c2nc(N3CCN(c4ccc(O)cc4)CC3)nc3c2ncn3-c2ccncc2)C1.CC(=O)CCCCn1cnc2c(-n3ncc4ccccc43)nc(N3CCN(c4ccc(O)cc4)CC3)nc21.Nc1nc(N2CCN(c3ccc(O)cc3)CC2)nc2c1ccn2C1CCNCC1.

What is the InChIKey of 1-[3-[6-amino-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]cyclohexyl]ethanone;4-[4-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)piperazin-1-yl]phenol;6-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]hexan-2-one;1-[1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]piperidin-3-yl]ethanone;1-[1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]pyrrolidin-3-yl]ethanone?

The InChIKey is FNWOZOZRRATMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N8O2.C27H30N8O2.C26H28N8O2.C23H29N7O2.C21H27N7O/c1-20(37)6-4-5-13-35-19-29-25-26(35)31-28(32-27(25)36-24-8-3-2-7-21(24)18-30-36)34-16-14-33(15-17-34)22-9-11-23(38)12-10-22;1-19(36)20-3-2-12-34(17-20)25-24-26(35(18-29-24)22-8-10-28-11-9-22)31-27(30-25)33-15-13-32(14-16-33)21-4-6-23(37)7-5-21;1-18(35)19-8-11-33(16-19)24-23-25(34(17-28-23)21-6-9-27-10-7-21)30-26(29-24)32-14-12-31(13-15-32)20-2-4-22(36)5-3-20;1-15(31)16-3-2-4-18(13-16)30-14-25-20-21(24)26-23(27-22(20)30)29-11-9-28(10-12-29)17-5-7-19(32)8-6-17;22-19-18-7-10-28(16-5-8-23-9-6-16)20(18)25-21(24-19)27-13-11-26(12-14-27)15-1-3-17(29)4-2-15/h2-3,7-12,18-19,38H,4-6,13-17H2,1H3;4-11,18,20,37H,2-3,12-17H2,1H3;2-7,9-10,17,19,36H,8,11-16H2,1H3;5-8,14,16,18,32H,2-4,9-13H2,1H3,(H2,24,26,27);1-4,7,10,16,23,29H,5-6,8-9,11-14H2,(H2,22,24,25).

What are the key properties of 1-[3-[6-amino-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]cyclohexyl]ethanone;4-[4-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)piperazin-1-yl]phenol;6-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]hexan-2-one;1-[1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]piperidin-3-yl]ethanone;1-[1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]pyrrolidin-3-yl]ethanone?

1-[3-[6-amino-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]cyclohexyl]ethanone;4-[4-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)piperazin-1-yl]phenol;6-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]hexan-2-one;1-[1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]piperidin-3-yl]ethanone;1-[1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]pyrrolidin-3-yl]ethanone has a molecular weight of 2322.78 g/mol, XLogP of 14.39, 25 rotatable bonds, 8 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[6-amino-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]cyclohexyl]ethanone;4-[4-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)piperazin-1-yl]phenol;6-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]hexan-2-one;1-[1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]piperidin-3-yl]ethanone;1-[1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]pyrrolidin-3-yl]ethanone is sourced from PubChem (CID 164981462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).