2-[2-[4-[[4-[4-[(2-chlorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethanol;5-[2-[2-[4-[[4-[4-[(2-chlorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N-[(2-chlorophenyl)methyl]-6-[4-(piperazin-1-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;methane;2-propoxyethanol

C113H129Cl3N22O15 — CID 157491415

About 2-[2-[4-[[4-[4-[(2-chlorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethanol;5-[2-[2-[4-[[4-[4-[(2-chlorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N-[(2-chlorophenyl)methyl]-6-[4-(piperazin-1-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;methane;2-propoxyethanol

2-[2-[4-[[4-[4-[(2-chlorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethanol;5-[2-[2-[4-[[4-[4-[(2-chlorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N-[(2-chlorophenyl)methyl]-6-[4-(piperazin-1-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;methane;2-propoxyethanol (PubChem CID 157491415) has the molecular formula C113H129Cl3N22O15 and a molecular weight of 2141.77 g/mol. Its IUPAC name is 2-[2-[4-[[4-[4-[(2-chlorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethanol;5-[2-[2-[4-[[4-[4-[(2-chlorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N-[(2-chlorophenyl)methyl]-6-[4-(piperazin-1-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;methane;2-propoxyethanol.

Molecular Properties

• Compound Name: 2-[2-[4-[[4-[4-[(2-chlorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethanol;5-[2-[2-[4-[[4-[4-[(2-chlorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N-[(2-chlorophenyl)methyl]-6-[4-(piperazin-1-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;methane;2-propoxyethanol
• PubChem CID: 157491415
• Molecular Formula: C113H129Cl3N22O15
• Molecular Weight: 2141.77 g/mol
• Exact Mass: 2138.91
• IUPAC Name: 2-[2-[4-[[4-[4-[(2-chlorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethanol;5-[2-[2-[4-[[4-[4-[(2-chlorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N-[(2-chlorophenyl)methyl]-6-[4-(piperazin-1-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;methane;2-propoxyethanol
• SMILES: C.C.CCCOCCO.Clc1ccccc1CNc1ncnc2[nH]c(-c3ccc(CN4CCNCC4)cc3)cc12.O=C1CCC(N2C(=O)c3ccc(O)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(OCCOCCN4CCN(Cc5ccc(-c6cc7c(NCc8ccccc8Cl)ncnc7[nH]6)cc5)CC4)cc3C2=O)C(=O)N1.OCCOCCN1CCN(Cc2ccc(-c3cc4c(NCc5ccccc5Cl)ncnc4[nH]3)cc2)CC1
• InChI: InChI=1S/C41H41ClN8O6.C28H33ClN6O2.C24H25ClN6.C13H10N2O5.C5H12O2.2CH4/c42-33-4-2-1-3-28(33)23-43-37-32-22-34(46-38(32)45-25-44-37)27-7-5-26(6-8-27)24-49-15-13-48(14-16-49)17-18-55-19-20-56-29-9-10-30-31(21-29)41(54)50(40(30)53)35-11-12-36(51)47-39(35)52;29-25-4-2-1-3-23(25)18-30-27-24-17-26(33-28(24)32-20-31-27)22-7-5-21(6-8-22)19-35-11-9-34(10-12-35)13-15-37-16-14-36;25-21-4-2-1-3-19(21)14-27-23-20-13-22(30-24(20)29-16-28-23)18-7-5-17(6-8-18)15-31-11-9-26-10-12-31;16-6-1-2-7-8(5-6)13(20)15(12(7)19)9-3-4-10(17)14-11(9)18;1-2-4-7-5-3-6;;/h1-10,21-22,25,35H,11-20,23-24H2,(H,47,51,52)(H2,43,44,45,46);1-8,17,20,36H,9-16,18-19H2,(H2,30,31,32,33);1-8,13,16,26H,9-12,14-15H2,(H2,27,28,29,30);1-2,5,9,16H,3-4H2,(H,14,17,18);6H,2-5H2,1H3;2*1H4
• InChIKey: BXHYQOLFRMLZMD-UHFFFAOYSA-N
• XLogP: 14.29
• TPSA: 453.74 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 30
• Rotatable Bonds: 36
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2141.77
LogP ≤ 5	14.29
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[[4-[4-[(2-chlorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethanol;5-[2-[2-[4-[[4-[4-[(2-chlorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N-[(2-chlorophenyl)methyl]-6-[4-(piperazin-1-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;methane;2-propoxyethanol?

The IUPAC name of 2-[2-[4-[[4-[4-[(2-chlorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethanol;5-[2-[2-[4-[[4-[4-[(2-chlorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N-[(2-chlorophenyl)methyl]-6-[4-(piperazin-1-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;methane;2-propoxyethanol (CID 157491415) is 2-[2-[4-[[4-[4-[(2-chlorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethanol;5-[2-[2-[4-[[4-[4-[(2-chlorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N-[(2-chlorophenyl)methyl]-6-[4-(piperazin-1-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;methane;2-propoxyethanol.

What is the SMILES notation for 2-[2-[4-[[4-[4-[(2-chlorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethanol;5-[2-[2-[4-[[4-[4-[(2-chlorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N-[(2-chlorophenyl)methyl]-6-[4-(piperazin-1-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;methane;2-propoxyethanol?

The canonical SMILES for 2-[2-[4-[[4-[4-[(2-chlorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethanol;5-[2-[2-[4-[[4-[4-[(2-chlorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N-[(2-chlorophenyl)methyl]-6-[4-(piperazin-1-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;methane;2-propoxyethanol is C.C.CCCOCCO.Clc1ccccc1CNc1ncnc2[nH]c(-c3ccc(CN4CCNCC4)cc3)cc12.O=C1CCC(N2C(=O)c3ccc(O)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(OCCOCCN4CCN(Cc5ccc(-c6cc7c(NCc8ccccc8Cl)ncnc7[nH]6)cc5)CC4)cc3C2=O)C(=O)N1.OCCOCCN1CCN(Cc2ccc(-c3cc4c(NCc5ccccc5Cl)ncnc4[nH]3)cc2)CC1.

What is the InChIKey of 2-[2-[4-[[4-[4-[(2-chlorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethanol;5-[2-[2-[4-[[4-[4-[(2-chlorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N-[(2-chlorophenyl)methyl]-6-[4-(piperazin-1-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;methane;2-propoxyethanol?

The InChIKey is BXHYQOLFRMLZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H41ClN8O6.C28H33ClN6O2.C24H25ClN6.C13H10N2O5.C5H12O2.2CH4/c42-33-4-2-1-3-28(33)23-43-37-32-22-34(46-38(32)45-25-44-37)27-7-5-26(6-8-27)24-49-15-13-48(14-16-49)17-18-55-19-20-56-29-9-10-30-31(21-29)41(54)50(40(30)53)35-11-12-36(51)47-39(35)52;29-25-4-2-1-3-23(25)18-30-27-24-17-26(33-28(24)32-20-31-27)22-7-5-21(6-8-22)19-35-11-9-34(10-12-35)13-15-37-16-14-36;25-21-4-2-1-3-19(21)14-27-23-20-13-22(30-24(20)29-16-28-23)18-7-5-17(6-8-18)15-31-11-9-26-10-12-31;16-6-1-2-7-8(5-6)13(20)15(12(7)19)9-3-4-10(17)14-11(9)18;1-2-4-7-5-3-6;;/h1-10,21-22,25,35H,11-20,23-24H2,(H,47,51,52)(H2,43,44,45,46);1-8,17,20,36H,9-16,18-19H2,(H2,30,31,32,33);1-8,13,16,26H,9-12,14-15H2,(H2,27,28,29,30);1-2,5,9,16H,3-4H2,(H,14,17,18);6H,2-5H2,1H3;2*1H4.

What are the key properties of 2-[2-[4-[[4-[4-[(2-chlorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethanol;5-[2-[2-[4-[[4-[4-[(2-chlorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N-[(2-chlorophenyl)methyl]-6-[4-(piperazin-1-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;methane;2-propoxyethanol?

2-[2-[4-[[4-[4-[(2-chlorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethanol;5-[2-[2-[4-[[4-[4-[(2-chlorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N-[(2-chlorophenyl)methyl]-6-[4-(piperazin-1-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;methane;2-propoxyethanol has a molecular weight of 2141.77 g/mol, XLogP of 14.29, 36 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-[[4-[4-[(2-chlorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethanol;5-[2-[2-[4-[[4-[4-[(2-chlorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N-[(2-chlorophenyl)methyl]-6-[4-(piperazin-1-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;methane;2-propoxyethanol is sourced from PubChem (CID 157491415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).