4-[[4-[[2-(1,1-difluoropropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C30H29F2N5O5 — CID 123860449

About 4-[[4-[[2-(1,1-difluoropropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

4-[[4-[[2-(1,1-difluoropropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 123860449) has the molecular formula C30H29F2N5O5 and a molecular weight of 577.59 g/mol. Its IUPAC name is 4-[[4-[[2-(1,1-difluoropropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 4-[[4-[[2-(1,1-difluoropropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 123860449
• Molecular Formula: C30H29F2N5O5
• Molecular Weight: 577.59 g/mol
• Exact Mass: 577.21
• IUPAC Name: 4-[[4-[[2-(1,1-difluoropropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: CCC(F)(F)c1cn2c(n1)CN(Cc1ccc(COc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc1)CC2
• InChI: InChI=1S/C30H29F2N5O5/c1-2-30(31,32)23-15-36-13-12-35(16-24(36)33-23)14-18-6-8-19(9-7-18)17-42-22-5-3-4-20-26(22)29(41)37(28(20)40)21-10-11-25(38)34-27(21)39/h3-9,15,21H,2,10-14,16-17H2,1H3,(H,34,38,39)
• InChIKey: OHPFRQNGZRFRNE-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 113.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	577.59
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[2-(1,1-difluoropropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 4-[[4-[[2-(1,1-difluoropropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 123860449) is 4-[[4-[[2-(1,1-difluoropropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 4-[[4-[[2-(1,1-difluoropropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 4-[[4-[[2-(1,1-difluoropropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is CCC(F)(F)c1cn2c(n1)CN(Cc1ccc(COc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc1)CC2.

What is the InChIKey of 4-[[4-[[2-(1,1-difluoropropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is OHPFRQNGZRFRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F2N5O5/c1-2-30(31,32)23-15-36-13-12-35(16-24(36)33-23)14-18-6-8-19(9-7-18)17-42-22-5-3-4-20-26(22)29(41)37(28(20)40)21-10-11-25(38)34-27(21)39/h3-9,15,21H,2,10-14,16-17H2,1H3,(H,34,38,39).

What are the key properties of 4-[[4-[[2-(1,1-difluoropropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

4-[[4-[[2-(1,1-difluoropropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 577.59 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-[[2-(1,1-difluoropropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 123860449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).