3-[7-[[4-[[2-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-7-yl]morpholin-4-yl]methyl]furan-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C49H50N8O11 — CID 138625010

About 3-[7-[[4-[[2-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-7-yl]morpholin-4-yl]methyl]furan-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[7-[[4-[[2-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-7-yl]morpholin-4-yl]methyl]furan-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 138625010) has the molecular formula C49H50N8O11 and a molecular weight of 926.98 g/mol. Its IUPAC name is 3-[7-[[4-[[2-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-7-yl]morpholin-4-yl]methyl]furan-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[7-[[4-[[2-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-7-yl]morpholin-4-yl]methyl]furan-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 138625010
• Molecular Formula: C49H50N8O11
• Molecular Weight: 926.98 g/mol
• Exact Mass: 926.36
• IUPAC Name: 3-[7-[[4-[[2-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-7-yl]morpholin-4-yl]methyl]furan-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: O=C1CCC(N2Cc3c(OCc4cc(CN5CCOC(c6cc7ncc(CN8CCOCC8)n7cc6COc6cccc7c6CN(C6CCC(=O)NC6=O)C7=O)C5)co4)cccc3C2=O)C(=O)N1
• InChI: InChI=1S/C49H50N8O11/c58-44-9-7-38(46(60)51-44)56-23-36-33(48(56)62)3-1-5-40(36)67-27-30-21-55-31(22-53-11-14-64-15-12-53)19-50-43(55)18-35(30)42-25-54(13-16-65-42)20-29-17-32(66-26-29)28-68-41-6-2-4-34-37(41)24-57(49(34)63)39-8-10-45(59)52-47(39)61/h1-6,17-19,21,26,38-39,42H,7-16,20,22-25,27-28H2,(H,51,58,60)(H,52,59,61)
• InChIKey: TUOFTLXBUMOOLG-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 206.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	926.98
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[7-[[4-[[2-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-7-yl]morpholin-4-yl]methyl]furan-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[7-[[4-[[2-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-7-yl]morpholin-4-yl]methyl]furan-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 138625010) is 3-[7-[[4-[[2-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-7-yl]morpholin-4-yl]methyl]furan-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[7-[[4-[[2-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-7-yl]morpholin-4-yl]methyl]furan-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[7-[[4-[[2-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-7-yl]morpholin-4-yl]methyl]furan-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3c(OCc4cc(CN5CCOC(c6cc7ncc(CN8CCOCC8)n7cc6COc6cccc7c6CN(C6CCC(=O)NC6=O)C7=O)C5)co4)cccc3C2=O)C(=O)N1.

What is the InChIKey of 3-[7-[[4-[[2-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-7-yl]morpholin-4-yl]methyl]furan-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is TUOFTLXBUMOOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H50N8O11/c58-44-9-7-38(46(60)51-44)56-23-36-33(48(56)62)3-1-5-40(36)67-27-30-21-55-31(22-53-11-14-64-15-12-53)19-50-43(55)18-35(30)42-25-54(13-16-65-42)20-29-17-32(66-26-29)28-68-41-6-2-4-34-37(41)24-57(49(34)63)39-8-10-45(59)52-47(39)61/h1-6,17-19,21,26,38-39,42H,7-16,20,22-25,27-28H2,(H,51,58,60)(H,52,59,61).

What are the key properties of 3-[7-[[4-[[2-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-7-yl]morpholin-4-yl]methyl]furan-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[7-[[4-[[2-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-7-yl]morpholin-4-yl]methyl]furan-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 926.98 g/mol, XLogP of 3.01, 13 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-[[4-[[2-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-7-yl]morpholin-4-yl]methyl]furan-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 138625010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).