5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione

C40H49N9O8 — CID 158463918

About 5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione

5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 158463918) has the molecular formula C40H49N9O8 and a molecular weight of 783.89 g/mol. Its IUPAC name is 5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 158463918
• Molecular Formula: C40H49N9O8
• Molecular Weight: 783.89 g/mol
• Exact Mass: 783.37
• IUPAC Name: 5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: C=C1CCC(N2C(=O)c3ccc(OCCOCCOCCOCc4nc5cnc(Nc6ccnc(N7CCC(OC)CC7)n6)cc5n4C(C)C)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C40H49N9O8/c1-25(2)48-33-22-35(45-34-9-12-41-40(46-34)47-13-10-27(53-4)11-14-47)42-23-31(33)44-36(48)24-56-18-17-54-15-16-55-19-20-57-28-6-7-29-30(21-28)39(52)49(38(29)51)32-8-5-26(3)43-37(32)50/h6-7,9,12,21-23,25,27,32H,3,5,8,10-11,13-20,24H2,1-2,4H3,(H,43,50)(H,41,42,45,46)
• InChIKey: ZINZRXJVBJREEV-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 184.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 18
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	783.89
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

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 5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione (CID 158463918) is 5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione is C=C1CCC(N2C(=O)c3ccc(OCCOCCOCCOCc4nc5cnc(Nc6ccnc(N7CCC(OC)CC7)n6)cc5n4C(C)C)cc3C2=O)C(=O)N1.

What is the InChIKey of 5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is ZINZRXJVBJREEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H49N9O8/c1-25(2)48-33-22-35(45-34-9-12-41-40(46-34)47-13-10-27(53-4)11-14-47)42-23-31(33)44-36(48)24-56-18-17-54-15-16-55-19-20-57-28-6-7-29-30(21-28)39(52)49(38(29)51)32-8-5-26(3)43-37(32)50/h6-7,9,12,21-23,25,27,32H,3,5,8,10-11,13-20,24H2,1-2,4H3,(H,43,50)(H,41,42,45,46).

What are the key properties of 5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione?

5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 783.89 g/mol, XLogP of 4.18, 18 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 158463918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).