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

C129H127Cl4N23O9 — CID 159828136

About 2-[2-chloro-5-[[2-(furan-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-(5-methyl-2-pyridin-3-ylpyrrolo[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-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[(2-pyridin-4-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)-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-pyridin-3-ylpyrrolo[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-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone (PubChem CID 159828136) has the molecular formula C129H127Cl4N23O9 and a molecular weight of 2285.40 g/mol. Its IUPAC name is 2-[2-chloro-5-[[2-(furan-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-(5-methyl-2-pyridin-3-ylpyrrolo[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-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[(2-pyridin-4-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)-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-pyridin-3-ylpyrrolo[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-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone
• PubChem CID: 159828136
• Molecular Formula: C129H127Cl4N23O9
• Molecular Weight: 2285.40 g/mol
• Exact Mass: 2281.89
• IUPAC Name: 2-[2-chloro-5-[[2-(furan-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-(5-methyl-2-pyridin-3-ylpyrrolo[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-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[(2-pyridin-4-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(-c4cccnc4)nc4ccn(C)c34)ccc2Cl)ccc1CN1CCN(C)CC1.Cc1cc(C(=O)Cc2cc(Oc3nc(-c4ccncc4)nc4cc[nH]c34)ccc2Cl)ccc1CN1CCN(C)CC1.Cc1cc(C(=O)Cc2cc(Oc3nc(-c4ccncc4)nc4ccn(C)c34)ccc2Cl)ccc1CN1CCN(C)CC1.Cc1cc(C(=O)Cc2cc(Oc3nc(-c4ccoc4)nc4cc[nH]c34)ccc2Cl)ccc1CN1CCN(C)CC1
• InChI: InChI=1S/2C33H33ClN6O2.C32H31ClN6O2.C31H30ClN5O3/c1-22-18-24(4-5-25(22)21-40-16-14-38(2)15-17-40)30(41)20-26-19-27(6-7-28(26)34)42-33-31-29(10-13-39(31)3)36-32(37-33)23-8-11-35-12-9-23;1-22-17-23(6-7-25(22)21-40-15-13-38(2)14-16-40)30(41)19-26-18-27(8-9-28(26)34)42-33-31-29(10-12-39(31)3)36-32(37-33)24-5-4-11-35-20-24;1-21-17-23(3-4-24(21)20-39-15-13-38(2)14-16-39)29(40)19-25-18-26(5-6-27(25)33)41-32-30-28(9-12-35-30)36-31(37-32)22-7-10-34-11-8-22;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)40-31-29-27(7-9-33-29)34-30(35-31)23-8-14-39-19-23/h4-13,18-19H,14-17,20-21H2,1-3H3;4-12,17-18,20H,13-16,19,21H2,1-3H3;3-12,17-18,35H,13-16,19-20H2,1-2H3;3-9,14-16,19,33H,10-13,17-18H2,1-2H3
• InChIKey: NNCNHKGUGPOSCU-UHFFFAOYSA-N
• XLogP: 24.01
• TPSA: 327.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 30
• Rotatable Bonds: 32
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2285.40
LogP ≤ 5	24.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-[[2-(furan-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-(5-methyl-2-pyridin-3-ylpyrrolo[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-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[(2-pyridin-4-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)-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-pyridin-3-ylpyrrolo[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-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone (CID 159828136) is 2-[2-chloro-5-[[2-(furan-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-(5-methyl-2-pyridin-3-ylpyrrolo[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-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[(2-pyridin-4-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)-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-pyridin-3-ylpyrrolo[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-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[(2-pyridin-4-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)-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-pyridin-3-ylpyrrolo[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-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[(2-pyridin-4-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(-c4cccnc4)nc4ccn(C)c34)ccc2Cl)ccc1CN1CCN(C)CC1.Cc1cc(C(=O)Cc2cc(Oc3nc(-c4ccncc4)nc4cc[nH]c34)ccc2Cl)ccc1CN1CCN(C)CC1.Cc1cc(C(=O)Cc2cc(Oc3nc(-c4ccncc4)nc4ccn(C)c34)ccc2Cl)ccc1CN1CCN(C)CC1.Cc1cc(C(=O)Cc2cc(Oc3nc(-c4ccoc4)nc4cc[nH]c34)ccc2Cl)ccc1CN1CCN(C)CC1.

What is the InChIKey of 2-[2-chloro-5-[[2-(furan-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-(5-methyl-2-pyridin-3-ylpyrrolo[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-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[(2-pyridin-4-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 NNCNHKGUGPOSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H33ClN6O2.C32H31ClN6O2.C31H30ClN5O3/c1-22-18-24(4-5-25(22)21-40-16-14-38(2)15-17-40)30(41)20-26-19-27(6-7-28(26)34)42-33-31-29(10-13-39(31)3)36-32(37-33)23-8-11-35-12-9-23;1-22-17-23(6-7-25(22)21-40-15-13-38(2)14-16-40)30(41)19-26-18-27(8-9-28(26)34)42-33-31-29(10-12-39(31)3)36-32(37-33)24-5-4-11-35-20-24;1-21-17-23(3-4-24(21)20-39-15-13-38(2)14-16-39)29(40)19-25-18-26(5-6-27(25)33)41-32-30-28(9-12-35-30)36-31(37-32)22-7-10-34-11-8-22;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)40-31-29-27(7-9-33-29)34-30(35-31)23-8-14-39-19-23/h4-13,18-19H,14-17,20-21H2,1-3H3;4-12,17-18,20H,13-16,19,21H2,1-3H3;3-12,17-18,35H,13-16,19-20H2,1-2H3;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)-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-pyridin-3-ylpyrrolo[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-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[(2-pyridin-4-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)-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-pyridin-3-ylpyrrolo[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-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[(2-pyridin-4-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 2285.40 g/mol, XLogP of 24.01, 32 rotatable bonds, 2 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)-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-pyridin-3-ylpyrrolo[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-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[(2-pyridin-4-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 159828136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).