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

C128H126Cl4N20O10S2 — CID 157189219

About 2-[2-chloro-5-[2-(furan-3-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[[2-(4-hydroxyphenyl)-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-(5-methyl-2-thiophen-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[(2-thiophen-3-yl-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-(furan-3-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[[2-(4-hydroxyphenyl)-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-(5-methyl-2-thiophen-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[(2-thiophen-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone (PubChem CID 157189219) has the molecular formula C128H126Cl4N20O10S2 and a molecular weight of 2310.49 g/mol. Its IUPAC name is 2-[2-chloro-5-[2-(furan-3-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[[2-(4-hydroxyphenyl)-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-(5-methyl-2-thiophen-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[(2-thiophen-3-yl-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-(furan-3-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[[2-(4-hydroxyphenyl)-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-(5-methyl-2-thiophen-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[(2-thiophen-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone
• PubChem CID: 157189219
• Molecular Formula: C128H126Cl4N20O10S2
• Molecular Weight: 2310.49 g/mol
• Exact Mass: 2306.82
• IUPAC Name: 2-[2-chloro-5-[2-(furan-3-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[[2-(4-hydroxyphenyl)-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-(5-methyl-2-thiophen-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[(2-thiophen-3-yl-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(O)cc4)nc4cc[nH]c34)ccc2Cl)ccc1CN1CCN(C)CC1.Cc1cc(C(=O)Cc2cc(Oc3nc(-c4ccoc4)nc4ccn(C)c34)ccc2Cl)ccc1CN1CCN(C)CC1.Cc1cc(C(=O)Cc2cc(Oc3nc(-c4ccsc4)nc4cc[nH]c34)ccc2Cl)ccc1CN1CCN(C)CC1.Cc1cc(C(=O)Cc2cc(Oc3nc(-c4ccsc4)nc4ccn(C)c34)ccc2Cl)ccc1CN1CCN(C)CC1
• InChI: InChI=1S/C33H32ClN5O3.C32H32ClN5O3.C32H32ClN5O2S.C31H30ClN5O2S/c1-21-17-23(3-4-24(21)20-39-15-13-38(2)14-16-39)30(41)19-25-18-27(9-10-28(25)34)42-33-31-29(11-12-35-31)36-32(37-33)22-5-7-26(40)8-6-22;1-21-16-22(4-5-23(21)19-38-13-11-36(2)12-14-38)29(39)18-25-17-26(6-7-27(25)33)41-32-30-28(8-10-37(30)3)34-31(35-32)24-9-15-40-20-24;1-21-16-22(4-5-23(21)19-38-13-11-36(2)12-14-38)29(39)18-25-17-26(6-7-27(25)33)40-32-30-28(8-10-37(30)3)34-31(35-32)24-9-15-41-20-24;1-20-15-21(3-4-22(20)18-37-12-10-36(2)11-13-37)28(38)17-24-16-25(5-6-26(24)32)39-31-29-27(7-9-33-29)34-30(35-31)23-8-14-40-19-23/h3-12,17-18,35,40H,13-16,19-20H2,1-2H3;2*4-10,15-17,20H,11-14,18-19H2,1-3H3;3-9,14-16,19,33H,10-13,17-18H2,1-2H3
• InChIKey: APMNIVWKWDRLJG-UHFFFAOYSA-N
• XLogP: 25.65
• TPSA: 309.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 30
• Rotatable Bonds: 32
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2310.49
LogP ≤ 5	25.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-[2-(furan-3-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[[2-(4-hydroxyphenyl)-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-(5-methyl-2-thiophen-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[(2-thiophen-3-yl-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-(furan-3-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[[2-(4-hydroxyphenyl)-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-(5-methyl-2-thiophen-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[(2-thiophen-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone (CID 157189219) is 2-[2-chloro-5-[2-(furan-3-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[[2-(4-hydroxyphenyl)-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-(5-methyl-2-thiophen-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[(2-thiophen-3-yl-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-(furan-3-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[[2-(4-hydroxyphenyl)-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-(5-methyl-2-thiophen-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[(2-thiophen-3-yl-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-(furan-3-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[[2-(4-hydroxyphenyl)-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-(5-methyl-2-thiophen-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[(2-thiophen-3-yl-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(O)cc4)nc4cc[nH]c34)ccc2Cl)ccc1CN1CCN(C)CC1.Cc1cc(C(=O)Cc2cc(Oc3nc(-c4ccoc4)nc4ccn(C)c34)ccc2Cl)ccc1CN1CCN(C)CC1.Cc1cc(C(=O)Cc2cc(Oc3nc(-c4ccsc4)nc4cc[nH]c34)ccc2Cl)ccc1CN1CCN(C)CC1.Cc1cc(C(=O)Cc2cc(Oc3nc(-c4ccsc4)nc4ccn(C)c34)ccc2Cl)ccc1CN1CCN(C)CC1.

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

The InChIKey is APMNIVWKWDRLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32ClN5O3.C32H32ClN5O3.C32H32ClN5O2S.C31H30ClN5O2S/c1-21-17-23(3-4-24(21)20-39-15-13-38(2)14-16-39)30(41)19-25-18-27(9-10-28(25)34)42-33-31-29(11-12-35-31)36-32(37-33)22-5-7-26(40)8-6-22;1-21-16-22(4-5-23(21)19-38-13-11-36(2)12-14-38)29(39)18-25-17-26(6-7-27(25)33)41-32-30-28(8-10-37(30)3)34-31(35-32)24-9-15-40-20-24;1-21-16-22(4-5-23(21)19-38-13-11-36(2)12-14-38)29(39)18-25-17-26(6-7-27(25)33)40-32-30-28(8-10-37(30)3)34-31(35-32)24-9-15-41-20-24;1-20-15-21(3-4-22(20)18-37-12-10-36(2)11-13-37)28(38)17-24-16-25(5-6-26(24)32)39-31-29-27(7-9-33-29)34-30(35-31)23-8-14-40-19-23/h3-12,17-18,35,40H,13-16,19-20H2,1-2H3;2*4-10,15-17,20H,11-14,18-19H2,1-3H3;3-9,14-16,19,33H,10-13,17-18H2,1-2H3.

What are the key properties of 2-[2-chloro-5-[2-(furan-3-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[[2-(4-hydroxyphenyl)-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-(5-methyl-2-thiophen-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[(2-thiophen-3-yl-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-(furan-3-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[[2-(4-hydroxyphenyl)-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-(5-methyl-2-thiophen-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[(2-thiophen-3-yl-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 2310.49 g/mol, XLogP of 25.65, 32 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-chloro-5-[2-(furan-3-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[[2-(4-hydroxyphenyl)-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-(5-methyl-2-thiophen-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[(2-thiophen-3-yl-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 157189219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).