2-chloro-5-[2-(furan-3-yl)-9-methylpurin-6-yl]oxy-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-methyl-2-thiophen-3-ylpurin-6-yl)oxybenzamide;2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-propan-2-yl-2-pyridin-4-ylpurin-6-yl)oxybenzamide;2-methyl-N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-methyl-2-pyridin-4-ylpurin-6-yl)oxybenzamide

C125H129Cl3N30O9S — CID 158238518

About 2-chloro-5-[2-(furan-3-yl)-9-methylpurin-6-yl]oxy-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-methyl-2-thiophen-3-ylpurin-6-yl)oxybenzamide;2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-propan-2-yl-2-pyridin-4-ylpurin-6-yl)oxybenzamide;2-methyl-N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-methyl-2-pyridin-4-ylpurin-6-yl)oxybenzamide

2-chloro-5-[2-(furan-3-yl)-9-methylpurin-6-yl]oxy-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-methyl-2-thiophen-3-ylpurin-6-yl)oxybenzamide;2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-propan-2-yl-2-pyridin-4-ylpurin-6-yl)oxybenzamide;2-methyl-N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-methyl-2-pyridin-4-ylpurin-6-yl)oxybenzamide (PubChem CID 158238518) has the molecular formula C125H129Cl3N30O9S and a molecular weight of 2334.03 g/mol. Its IUPAC name is 2-chloro-5-[2-(furan-3-yl)-9-methylpurin-6-yl]oxy-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-methyl-2-thiophen-3-ylpurin-6-yl)oxybenzamide;2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-propan-2-yl-2-pyridin-4-ylpurin-6-yl)oxybenzamide;2-methyl-N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-methyl-2-pyridin-4-ylpurin-6-yl)oxybenzamide.

Molecular Properties

• Compound Name: 2-chloro-5-[2-(furan-3-yl)-9-methylpurin-6-yl]oxy-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-methyl-2-thiophen-3-ylpurin-6-yl)oxybenzamide;2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-propan-2-yl-2-pyridin-4-ylpurin-6-yl)oxybenzamide;2-methyl-N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-methyl-2-pyridin-4-ylpurin-6-yl)oxybenzamide
• PubChem CID: 158238518
• Molecular Formula: C125H129Cl3N30O9S
• Molecular Weight: 2334.03 g/mol
• Exact Mass: 2330.93
• IUPAC Name: 2-chloro-5-[2-(furan-3-yl)-9-methylpurin-6-yl]oxy-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-methyl-2-thiophen-3-ylpurin-6-yl)oxybenzamide;2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-propan-2-yl-2-pyridin-4-ylpurin-6-yl)oxybenzamide;2-methyl-N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-methyl-2-pyridin-4-ylpurin-6-yl)oxybenzamide
• SMILES: Cc1cc(CN2CCN(C)CC2)cc(NC(=O)c2cc(Oc3nc(-c4ccncc4)nc4c3ncn4C)ccc2C)c1.Cc1cc(NC(=O)c2cc(Oc3nc(-c4ccncc4)nc4c3ncn4C(C)C)ccc2Cl)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2cc(Oc3nc(-c4ccoc4)nc4c3ncn4C)ccc2Cl)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2cc(Oc3nc(-c4ccsc4)nc4c3ncn4C)ccc2Cl)ccc1CN1CCN(C)CC1
• InChI: InChI=1S/C33H35ClN8O2.C32H34N8O2.C30H30ClN7O3.C30H30ClN7O2S/c1-21(2)42-20-36-29-31(42)38-30(23-9-11-35-12-10-23)39-33(29)44-26-7-8-28(34)27(18-26)32(43)37-25-6-5-24(22(3)17-25)19-41-15-13-40(4)14-16-41;1-21-15-23(19-40-13-11-38(3)12-14-40)17-25(16-21)35-31(41)27-18-26(6-5-22(27)2)42-32-28-30(39(4)20-34-28)36-29(37-32)24-7-9-33-10-8-24;1-19-14-22(5-4-20(19)16-38-11-9-36(2)10-12-38)33-29(39)24-15-23(6-7-25(24)31)41-30-26-28(37(3)18-32-26)34-27(35-30)21-8-13-40-17-21;1-19-14-22(5-4-20(19)16-38-11-9-36(2)10-12-38)33-29(39)24-15-23(6-7-25(24)31)40-30-26-28(37(3)18-32-26)34-27(35-30)21-8-13-41-17-21/h5-12,17-18,20-21H,13-16,19H2,1-4H3,(H,37,43);5-10,15-18,20H,11-14,19H2,1-4H3,(H,35,41);2*4-8,13-15,17-18H,9-12,16H2,1-3H3,(H,33,39)
• InChIKey: GFGNEHZHYVCAAC-UHFFFAOYSA-N
• XLogP: 22.28
• TPSA: 392.56 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 36
• Rotatable Bonds: 29
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2334.03
LogP ≤ 5	22.28
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-(furan-3-yl)-9-methylpurin-6-yl]oxy-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-methyl-2-thiophen-3-ylpurin-6-yl)oxybenzamide;2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-propan-2-yl-2-pyridin-4-ylpurin-6-yl)oxybenzamide;2-methyl-N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-methyl-2-pyridin-4-ylpurin-6-yl)oxybenzamide?

The IUPAC name of 2-chloro-5-[2-(furan-3-yl)-9-methylpurin-6-yl]oxy-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-methyl-2-thiophen-3-ylpurin-6-yl)oxybenzamide;2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-propan-2-yl-2-pyridin-4-ylpurin-6-yl)oxybenzamide;2-methyl-N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-methyl-2-pyridin-4-ylpurin-6-yl)oxybenzamide (CID 158238518) is 2-chloro-5-[2-(furan-3-yl)-9-methylpurin-6-yl]oxy-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-methyl-2-thiophen-3-ylpurin-6-yl)oxybenzamide;2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-propan-2-yl-2-pyridin-4-ylpurin-6-yl)oxybenzamide;2-methyl-N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-methyl-2-pyridin-4-ylpurin-6-yl)oxybenzamide.

What is the SMILES notation for 2-chloro-5-[2-(furan-3-yl)-9-methylpurin-6-yl]oxy-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-methyl-2-thiophen-3-ylpurin-6-yl)oxybenzamide;2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-propan-2-yl-2-pyridin-4-ylpurin-6-yl)oxybenzamide;2-methyl-N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-methyl-2-pyridin-4-ylpurin-6-yl)oxybenzamide?

The canonical SMILES for 2-chloro-5-[2-(furan-3-yl)-9-methylpurin-6-yl]oxy-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-methyl-2-thiophen-3-ylpurin-6-yl)oxybenzamide;2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-propan-2-yl-2-pyridin-4-ylpurin-6-yl)oxybenzamide;2-methyl-N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-methyl-2-pyridin-4-ylpurin-6-yl)oxybenzamide is Cc1cc(CN2CCN(C)CC2)cc(NC(=O)c2cc(Oc3nc(-c4ccncc4)nc4c3ncn4C)ccc2C)c1.Cc1cc(NC(=O)c2cc(Oc3nc(-c4ccncc4)nc4c3ncn4C(C)C)ccc2Cl)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2cc(Oc3nc(-c4ccoc4)nc4c3ncn4C)ccc2Cl)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2cc(Oc3nc(-c4ccsc4)nc4c3ncn4C)ccc2Cl)ccc1CN1CCN(C)CC1.

What is the InChIKey of 2-chloro-5-[2-(furan-3-yl)-9-methylpurin-6-yl]oxy-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-methyl-2-thiophen-3-ylpurin-6-yl)oxybenzamide;2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-propan-2-yl-2-pyridin-4-ylpurin-6-yl)oxybenzamide;2-methyl-N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-methyl-2-pyridin-4-ylpurin-6-yl)oxybenzamide?

The InChIKey is GFGNEHZHYVCAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35ClN8O2.C32H34N8O2.C30H30ClN7O3.C30H30ClN7O2S/c1-21(2)42-20-36-29-31(42)38-30(23-9-11-35-12-10-23)39-33(29)44-26-7-8-28(34)27(18-26)32(43)37-25-6-5-24(22(3)17-25)19-41-15-13-40(4)14-16-41;1-21-15-23(19-40-13-11-38(3)12-14-40)17-25(16-21)35-31(41)27-18-26(6-5-22(27)2)42-32-28-30(39(4)20-34-28)36-29(37-32)24-7-9-33-10-8-24;1-19-14-22(5-4-20(19)16-38-11-9-36(2)10-12-38)33-29(39)24-15-23(6-7-25(24)31)41-30-26-28(37(3)18-32-26)34-27(35-30)21-8-13-40-17-21;1-19-14-22(5-4-20(19)16-38-11-9-36(2)10-12-38)33-29(39)24-15-23(6-7-25(24)31)40-30-26-28(37(3)18-32-26)34-27(35-30)21-8-13-41-17-21/h5-12,17-18,20-21H,13-16,19H2,1-4H3,(H,37,43);5-10,15-18,20H,11-14,19H2,1-4H3,(H,35,41);2*4-8,13-15,17-18H,9-12,16H2,1-3H3,(H,33,39).

What are the key properties of 2-chloro-5-[2-(furan-3-yl)-9-methylpurin-6-yl]oxy-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-methyl-2-thiophen-3-ylpurin-6-yl)oxybenzamide;2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-propan-2-yl-2-pyridin-4-ylpurin-6-yl)oxybenzamide;2-methyl-N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-methyl-2-pyridin-4-ylpurin-6-yl)oxybenzamide?

2-chloro-5-[2-(furan-3-yl)-9-methylpurin-6-yl]oxy-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-methyl-2-thiophen-3-ylpurin-6-yl)oxybenzamide;2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-propan-2-yl-2-pyridin-4-ylpurin-6-yl)oxybenzamide;2-methyl-N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-methyl-2-pyridin-4-ylpurin-6-yl)oxybenzamide has a molecular weight of 2334.03 g/mol, XLogP of 22.28, 29 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-[2-(furan-3-yl)-9-methylpurin-6-yl]oxy-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-methyl-2-thiophen-3-ylpurin-6-yl)oxybenzamide;2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-propan-2-yl-2-pyridin-4-ylpurin-6-yl)oxybenzamide;2-methyl-N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-methyl-2-pyridin-4-ylpurin-6-yl)oxybenzamide is sourced from PubChem (CID 158238518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).