5-[2-(3-chlorophenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(4-chlorophenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(3-hydroxyphenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(4-hydroxyphenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide

C132H138Cl2N28O10 — CID 157143852

IUPAC5-[2-(3-chlorophenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(4-chlorophenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(3-hydroxyphenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(4-hydroxyphenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
SMILESCc1cc(NC(=O)c2cc(Oc3nc(-c4ccc(Cl)cc4)nc4c3ncn4C)ccc2C)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2cc(Oc3nc(-c4ccc(O)cc4)nc4c3ncn4C)ccc2C)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2cc(Oc3nc(-c4cccc(Cl)c4)nc4c3ncn4C)ccc2C)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2cc(Oc3nc(-c4cccc(O)c4)nc4c3ncn4C)ccc2C)ccc1CN1CCN(C)CC1
InChIInChI=1S/2C33H34ClN7O2.2C33H35N7O3/c1-21-5-12-27(43-33-29-31(40(4)20-35-29)37-30(38-33)23-6-9-25(34)10-7-23)18-28(21)32(42)36-26-11-8-24(22(2)17-26)19-41-15-13-39(3)14-16-41;1-21-8-11-27(43-33-29-31(40(4)20-35-29)37-30(38-33)23-6-5-7-25(34)17-23)18-28(21)32(42)36-26-10-9-24(22(2)16-26)19-41-14-12-39(3)13-15-41;1-21-5-12-27(43-33-29-31(39(4)20-34-29)36-30(37-33)23-7-10-26(41)11-8-23)18-28(21)32(42)35-25-9-6-24(22(2)17-25)19-40-15-13-38(3)14-16-40;1-21-8-11-27(43-33-29-31(39(4)20-34-29)36-30(37-33)23-6-5-7-26(41)17-23)18-28(21)32(42)35-25-10-9-24(22(2)16-25)19-40-14-12-38(3)13-15-40/h5-12,17-18,20H,13-16,19H2,1-4H3,(H,36,42);5-11,16-18,20H,12-15,19H2,1-4H3,(H,36,42);5-12,17-18,20,41H,13-16,19H2,1-4H3,(H,35,42);5-11,16-18,20,41H,12-15,19H2,1-4H3,(H,35,42)
InChIKeyAKMISVOJYKFIJO-UHFFFAOYSA-N
MW2347.65 g/mol
LogP22.47
Rot. Bonds28

About 5-[2-(3-chlorophenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(4-chlorophenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(3-hydroxyphenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(4-hydroxyphenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide

5-[2-(3-chlorophenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(4-chlorophenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(3-hydroxyphenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(4-hydroxyphenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide (PubChem CID 157143852) has the molecular formula C132H138Cl2N28O10 and a molecular weight of 2347.65 g/mol. Its IUPAC name is 5-[2-(3-chlorophenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(4-chlorophenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(3-hydroxyphenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(4-hydroxyphenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide.

Molecular Properties

Compound Name5-[2-(3-chlorophenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(4-chlorophenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(3-hydroxyphenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(4-hydroxyphenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
PubChem CID157143852
Molecular FormulaC132H138Cl2N28O10
Molecular Weight2347.65 g/mol
Exact Mass2345.05
IUPAC Name5-[2-(3-chlorophenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(4-chlorophenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(3-hydroxyphenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(4-hydroxyphenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
SMILESCc1cc(NC(=O)c2cc(Oc3nc(-c4ccc(Cl)cc4)nc4c3ncn4C)ccc2C)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2cc(Oc3nc(-c4ccc(O)cc4)nc4c3ncn4C)ccc2C)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2cc(Oc3nc(-c4cccc(Cl)c4)nc4c3ncn4C)ccc2C)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2cc(Oc3nc(-c4cccc(O)c4)nc4c3ncn4C)ccc2C)ccc1CN1CCN(C)CC1
InChIInChI=1S/2C33H34ClN7O2.2C33H35N7O3/c1-21-5-12-27(43-33-29-31(40(4)20-35-29)37-30(38-33)23-6-9-25(34)10-7-23)18-28(21)32(42)36-26-11-8-24(22(2)17-26)19-41-15-13-39(3)14-16-41;1-21-8-11-27(43-33-29-31(40(4)20-35-29)37-30(38-33)23-6-5-7-25(34)17-23)18-28(21)32(42)36-26-10-9-24(22(2)16-26)19-41-14-12-39(3)13-15-41;1-21-5-12-27(43-33-29-31(39(4)20-34-29)36-30(37-33)23-7-10-26(41)11-8-23)18-28(21)32(42)35-25-9-6-24(22(2)17-25)19-40-15-13-38(3)14-16-40;1-21-8-11-27(43-33-29-31(39(4)20-34-29)36-30(37-33)23-6-5-7-26(41)17-23)18-28(21)32(42)35-25-10-9-24(22(2)16-25)19-40-14-12-38(3)13-15-40/h5-12,17-18,20H,13-16,19H2,1-4H3,(H,36,42);5-11,16-18,20H,12-15,19H2,1-4H3,(H,36,42);5-12,17-18,20,41H,13-16,19H2,1-4H3,(H,35,42);5-11,16-18,20,41H,12-15,19H2,1-4H3,(H,35,42)
InChIKeyAKMISVOJYKFIJO-UHFFFAOYSA-N
XLogP22.47
TPSA394.10 Ų
H-Bond Donors6
H-Bond Acceptors34
Rotatable Bonds28
Heavy Atoms172
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002347.65
LogP ≤ 522.47
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1034

Analyze 5-[2-(3-chlorophenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(4-chlorophenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(3-hydroxyphenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(4-hydroxyphenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-chlorophenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(4-chlorophenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(3-hydroxyphenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(4-hydroxyphenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide?
The IUPAC name of 5-[2-(3-chlorophenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(4-chlorophenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(3-hydroxyphenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(4-hydroxyphenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide (CID 157143852) is 5-[2-(3-chlorophenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(4-chlorophenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(3-hydroxyphenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(4-hydroxyphenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide.
What is the SMILES notation for 5-[2-(3-chlorophenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(4-chlorophenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(3-hydroxyphenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(4-hydroxyphenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide?
The canonical SMILES for 5-[2-(3-chlorophenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(4-chlorophenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(3-hydroxyphenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(4-hydroxyphenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide is Cc1cc(NC(=O)c2cc(Oc3nc(-c4ccc(Cl)cc4)nc4c3ncn4C)ccc2C)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2cc(Oc3nc(-c4ccc(O)cc4)nc4c3ncn4C)ccc2C)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2cc(Oc3nc(-c4cccc(Cl)c4)nc4c3ncn4C)ccc2C)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2cc(Oc3nc(-c4cccc(O)c4)nc4c3ncn4C)ccc2C)ccc1CN1CCN(C)CC1.
What is the InChIKey of 5-[2-(3-chlorophenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(4-chlorophenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(3-hydroxyphenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(4-hydroxyphenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide?
The InChIKey is AKMISVOJYKFIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H34ClN7O2.2C33H35N7O3/c1-21-5-12-27(43-33-29-31(40(4)20-35-29)37-30(38-33)23-6-9-25(34)10-7-23)18-28(21)32(42)36-26-11-8-24(22(2)17-26)19-41-15-13-39(3)14-16-41;1-21-8-11-27(43-33-29-31(40(4)20-35-29)37-30(38-33)23-6-5-7-25(34)17-23)18-28(21)32(42)36-26-10-9-24(22(2)16-26)19-41-14-12-39(3)13-15-41;1-21-5-12-27(43-33-29-31(39(4)20-34-29)36-30(37-33)23-7-10-26(41)11-8-23)18-28(21)32(42)35-25-9-6-24(22(2)17-25)19-40-15-13-38(3)14-16-40;1-21-8-11-27(43-33-29-31(39(4)20-34-29)36-30(37-33)23-6-5-7-26(41)17-23)18-28(21)32(42)35-25-10-9-24(22(2)16-25)19-40-14-12-38(3)13-15-40/h5-12,17-18,20H,13-16,19H2,1-4H3,(H,36,42);5-11,16-18,20H,12-15,19H2,1-4H3,(H,36,42);5-12,17-18,20,41H,13-16,19H2,1-4H3,(H,35,42);5-11,16-18,20,41H,12-15,19H2,1-4H3,(H,35,42).
What are the key properties of 5-[2-(3-chlorophenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(4-chlorophenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(3-hydroxyphenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(4-hydroxyphenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide?
5-[2-(3-chlorophenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(4-chlorophenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(3-hydroxyphenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(4-hydroxyphenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide has a molecular weight of 2347.65 g/mol, XLogP of 22.47, 28 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-chlorophenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(4-chlorophenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(3-hydroxyphenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(4-hydroxyphenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 157143852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).