2-(2,4-dioxocyclohexyl)-5-[2-[4-[[4-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]phenyl]methyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-[4-[[4-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]phenyl]methyl]piperazin-1-yl]ethanol

C91H105N21O13 — CID 159227772

About 2-(2,4-dioxocyclohexyl)-5-[2-[4-[[4-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]phenyl]methyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-[4-[[4-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]phenyl]methyl]piperazin-1-yl]ethanol

2-(2,4-dioxocyclohexyl)-5-[2-[4-[[4-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]phenyl]methyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-[4-[[4-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]phenyl]methyl]piperazin-1-yl]ethanol (PubChem CID 159227772) has the molecular formula C91H105N21O13 and a molecular weight of 1700.97 g/mol. Its IUPAC name is 2-(2,4-dioxocyclohexyl)-5-[2-[4-[[4-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]phenyl]methyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-[4-[[4-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]phenyl]methyl]piperazin-1-yl]ethanol.

Molecular Properties

• Compound Name: 2-(2,4-dioxocyclohexyl)-5-[2-[4-[[4-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]phenyl]methyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-[4-[[4-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]phenyl]methyl]piperazin-1-yl]ethanol
• PubChem CID: 159227772
• Molecular Formula: C91H105N21O13
• Molecular Weight: 1700.97 g/mol
• Exact Mass: 1699.82
• IUPAC Name: 2-(2,4-dioxocyclohexyl)-5-[2-[4-[[4-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]phenyl]methyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-[4-[[4-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]phenyl]methyl]piperazin-1-yl]ethanol
• SMILES: COC1CCN(c2nccc(Nc3cc4c(cn3)nc(-c3ccc(CN5CCN(CCO)CC5)cc3)n4C(C)C)n2)CC1.COC1CCN(c2nccc(Nc3cc4c(cn3)nc(-c3ccc(CN5CCN(CCOc6ccc7c(c6)C(=O)N(C6CCC(=O)CC6=O)C7=O)CC5)cc3)n4C(C)C)n2)CC1.O=C1CCC(N2C(=O)c3ccc(O)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C46H52N10O6.C32H43N9O2.C13H10N2O5/c1-29(2)55-39-26-42(50-41-12-15-47-46(51-41)54-16-13-33(61-3)14-17-54)48-27-37(39)49-43(55)31-6-4-30(5-7-31)28-53-20-18-52(19-21-53)22-23-62-34-9-10-35-36(25-34)45(60)56(44(35)59)38-11-8-32(57)24-40(38)58;1-23(2)41-28-20-30(36-29-8-11-33-32(37-29)40-12-9-26(43-3)10-13-40)34-21-27(28)35-31(41)25-6-4-24(5-7-25)22-39-16-14-38(15-17-39)18-19-42;16-6-1-2-7-8(5-6)13(20)15(12(7)19)9-3-4-10(17)14-11(9)18/h4-7,9-10,12,15,25-27,29,33,38H,8,11,13-14,16-24,28H2,1-3H3,(H,47,48,50,51);4-8,11,20-21,23,26,42H,9-10,12-19,22H2,1-3H3,(H,33,34,36,37);1-2,5,9,16H,3-4H2,(H,14,17,18)
• InChIKey: KSMVVBJXXAZIAQ-UHFFFAOYSA-N
• XLogP: 9.04
• TPSA: 379.70 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 24
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1700.97
LogP ≤ 5	9.04
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxocyclohexyl)-5-[2-[4-[[4-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]phenyl]methyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-[4-[[4-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]phenyl]methyl]piperazin-1-yl]ethanol?

The IUPAC name of 2-(2,4-dioxocyclohexyl)-5-[2-[4-[[4-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]phenyl]methyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-[4-[[4-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]phenyl]methyl]piperazin-1-yl]ethanol (CID 159227772) is 2-(2,4-dioxocyclohexyl)-5-[2-[4-[[4-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]phenyl]methyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-[4-[[4-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]phenyl]methyl]piperazin-1-yl]ethanol.

What is the SMILES notation for 2-(2,4-dioxocyclohexyl)-5-[2-[4-[[4-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]phenyl]methyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-[4-[[4-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]phenyl]methyl]piperazin-1-yl]ethanol?

The canonical SMILES for 2-(2,4-dioxocyclohexyl)-5-[2-[4-[[4-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]phenyl]methyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-[4-[[4-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]phenyl]methyl]piperazin-1-yl]ethanol is COC1CCN(c2nccc(Nc3cc4c(cn3)nc(-c3ccc(CN5CCN(CCO)CC5)cc3)n4C(C)C)n2)CC1.COC1CCN(c2nccc(Nc3cc4c(cn3)nc(-c3ccc(CN5CCN(CCOc6ccc7c(c6)C(=O)N(C6CCC(=O)CC6=O)C7=O)CC5)cc3)n4C(C)C)n2)CC1.O=C1CCC(N2C(=O)c3ccc(O)cc3C2=O)C(=O)N1.

What is the InChIKey of 2-(2,4-dioxocyclohexyl)-5-[2-[4-[[4-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]phenyl]methyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-[4-[[4-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]phenyl]methyl]piperazin-1-yl]ethanol?

The InChIKey is KSMVVBJXXAZIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H52N10O6.C32H43N9O2.C13H10N2O5/c1-29(2)55-39-26-42(50-41-12-15-47-46(51-41)54-16-13-33(61-3)14-17-54)48-27-37(39)49-43(55)31-6-4-30(5-7-31)28-53-20-18-52(19-21-53)22-23-62-34-9-10-35-36(25-34)45(60)56(44(35)59)38-11-8-32(57)24-40(38)58;1-23(2)41-28-20-30(36-29-8-11-33-32(37-29)40-12-9-26(43-3)10-13-40)34-21-27(28)35-31(41)25-6-4-24(5-7-25)22-39-16-14-38(15-17-39)18-19-42;16-6-1-2-7-8(5-6)13(20)15(12(7)19)9-3-4-10(17)14-11(9)18/h4-7,9-10,12,15,25-27,29,33,38H,8,11,13-14,16-24,28H2,1-3H3,(H,47,48,50,51);4-8,11,20-21,23,26,42H,9-10,12-19,22H2,1-3H3,(H,33,34,36,37);1-2,5,9,16H,3-4H2,(H,14,17,18).

What are the key properties of 2-(2,4-dioxocyclohexyl)-5-[2-[4-[[4-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]phenyl]methyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-[4-[[4-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]phenyl]methyl]piperazin-1-yl]ethanol?

2-(2,4-dioxocyclohexyl)-5-[2-[4-[[4-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]phenyl]methyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-[4-[[4-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]phenyl]methyl]piperazin-1-yl]ethanol has a molecular weight of 1700.97 g/mol, XLogP of 9.04, 24 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-dioxocyclohexyl)-5-[2-[4-[[4-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]phenyl]methyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-[4-[[4-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]phenyl]methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 159227772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).