2-[2-chloro-5-[2-(4-chlorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[5-methyl-2-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[[2-(4-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]oxy]phenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone

C136H135Cl5N20O8 — CID 158228019

About 2-[2-chloro-5-[2-(4-chlorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[5-methyl-2-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[[2-(4-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]oxy]phenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone

2-[2-chloro-5-[2-(4-chlorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[5-methyl-2-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[[2-(4-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]oxy]phenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone (PubChem CID 158228019) has the molecular formula C136H135Cl5N20O8 and a molecular weight of 2354.97 g/mol. Its IUPAC name is 2-[2-chloro-5-[2-(4-chlorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[5-methyl-2-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[[2-(4-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]oxy]phenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone.

Molecular Properties

• Compound Name: 2-[2-chloro-5-[2-(4-chlorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[5-methyl-2-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[[2-(4-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]oxy]phenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone
• PubChem CID: 158228019
• Molecular Formula: C136H135Cl5N20O8
• Molecular Weight: 2354.97 g/mol
• Exact Mass: 2350.92
• IUPAC Name: 2-[2-chloro-5-[2-(4-chlorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[5-methyl-2-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[[2-(4-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]oxy]phenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone
• SMILES: Cc1cc(C(=O)Cc2cc(Oc3nc(-c4ccc(Cl)cc4)nc4ccn(C)c34)ccc2Cl)ccc1CN1CCN(C)CC1.Cc1cc(C(=O)Cc2cc(Oc3nc(-c4ccccc4)nc4cc[nH]c34)ccc2Cl)ccc1CN1CCN(C)CC1.Cc1ccc(-c2nc(Oc3ccc(Cl)c(CC(=O)c4ccc(CN5CCN(C)CC5)c(C)c4)c3)c3[nH]ccc3n2)cc1.Cc1ccc(-c2nc(Oc3ccc(Cl)c(CC(=O)c4ccc(CN5CCN(C)CC5)c(C)c4)c3)c3c(ccn3C)n2)cc1
• InChI: InChI=1S/C35H36ClN5O2.C34H33Cl2N5O2.C34H34ClN5O2.C33H32ClN5O2/c1-23-5-7-25(8-6-23)34-37-31-13-14-40(4)33(31)35(38-34)43-29-11-12-30(36)28(20-29)21-32(42)26-9-10-27(24(2)19-26)22-41-17-15-39(3)16-18-41;1-22-18-24(4-5-25(22)21-41-16-14-39(2)15-17-41)31(42)20-26-19-28(10-11-29(26)36)43-34-32-30(12-13-40(32)3)37-33(38-34)23-6-8-27(35)9-7-23;1-22-4-6-24(7-5-22)33-37-30-12-13-36-32(30)34(38-33)42-28-10-11-29(35)27(19-28)20-31(41)25-8-9-26(23(2)18-25)21-40-16-14-39(3)15-17-40;1-22-18-24(8-9-25(22)21-39-16-14-38(2)15-17-39)30(40)20-26-19-27(10-11-28(26)34)41-33-31-29(12-13-35-31)36-32(37-33)23-6-4-3-5-7-23/h5-14,19-20H,15-18,21-22H2,1-4H3;4-13,18-19H,14-17,20-21H2,1-3H3;4-13,18-19,36H,14-17,20-21H2,1-3H3;3-13,18-19,35H,14-17,20-21H2,1-2H3
• InChIKey: GEARWKPOPKJPFT-UHFFFAOYSA-N
• XLogP: 27.50
• TPSA: 275.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 32
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2354.97
LogP ≤ 5	27.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-[2-(4-chlorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[5-methyl-2-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[[2-(4-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]oxy]phenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone?

The IUPAC name of 2-[2-chloro-5-[2-(4-chlorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[5-methyl-2-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[[2-(4-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]oxy]phenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone (CID 158228019) is 2-[2-chloro-5-[2-(4-chlorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[5-methyl-2-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[[2-(4-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]oxy]phenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone.

What is the SMILES notation for 2-[2-chloro-5-[2-(4-chlorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[5-methyl-2-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[[2-(4-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]oxy]phenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone?

The canonical SMILES for 2-[2-chloro-5-[2-(4-chlorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[5-methyl-2-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[[2-(4-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]oxy]phenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone is Cc1cc(C(=O)Cc2cc(Oc3nc(-c4ccc(Cl)cc4)nc4ccn(C)c34)ccc2Cl)ccc1CN1CCN(C)CC1.Cc1cc(C(=O)Cc2cc(Oc3nc(-c4ccccc4)nc4cc[nH]c34)ccc2Cl)ccc1CN1CCN(C)CC1.Cc1ccc(-c2nc(Oc3ccc(Cl)c(CC(=O)c4ccc(CN5CCN(C)CC5)c(C)c4)c3)c3[nH]ccc3n2)cc1.Cc1ccc(-c2nc(Oc3ccc(Cl)c(CC(=O)c4ccc(CN5CCN(C)CC5)c(C)c4)c3)c3c(ccn3C)n2)cc1.

What is the InChIKey of 2-[2-chloro-5-[2-(4-chlorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[5-methyl-2-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[[2-(4-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]oxy]phenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone?

The InChIKey is GEARWKPOPKJPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36ClN5O2.C34H33Cl2N5O2.C34H34ClN5O2.C33H32ClN5O2/c1-23-5-7-25(8-6-23)34-37-31-13-14-40(4)33(31)35(38-34)43-29-11-12-30(36)28(20-29)21-32(42)26-9-10-27(24(2)19-26)22-41-17-15-39(3)16-18-41;1-22-18-24(4-5-25(22)21-41-16-14-39(2)15-17-41)31(42)20-26-19-28(10-11-29(26)36)43-34-32-30(12-13-40(32)3)37-33(38-34)23-6-8-27(35)9-7-23;1-22-4-6-24(7-5-22)33-37-30-12-13-36-32(30)34(38-33)42-28-10-11-29(35)27(19-28)20-31(41)25-8-9-26(23(2)18-25)21-40-16-14-39(3)15-17-40;1-22-18-24(8-9-25(22)21-39-16-14-38(2)15-17-39)30(40)20-26-19-27(10-11-28(26)34)41-33-31-29(12-13-35-31)36-32(37-33)23-6-4-3-5-7-23/h5-14,19-20H,15-18,21-22H2,1-4H3;4-13,18-19H,14-17,20-21H2,1-3H3;4-13,18-19,36H,14-17,20-21H2,1-3H3;3-13,18-19,35H,14-17,20-21H2,1-2H3.

What are the key properties of 2-[2-chloro-5-[2-(4-chlorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[5-methyl-2-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[[2-(4-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]oxy]phenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone?

2-[2-chloro-5-[2-(4-chlorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[5-methyl-2-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[[2-(4-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]oxy]phenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone has a molecular weight of 2354.97 g/mol, XLogP of 27.50, 32 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-chloro-5-[2-(4-chlorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[5-methyl-2-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[[2-(4-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]oxy]phenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone is sourced from PubChem (CID 158228019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).