N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-3-[[4-[[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methyl]phenyl]methoxy]benzamide

C28H27F3N6O5 — CID 129237006

About N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-3-[[4-[[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methyl]phenyl]methoxy]benzamide

N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-3-[[4-[[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methyl]phenyl]methoxy]benzamide (PubChem CID 129237006) has the molecular formula C28H27F3N6O5 and a molecular weight of 584.56 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-3-[[4-[[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methyl]phenyl]methoxy]benzamide.

Molecular Properties

• Compound Name: N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-3-[[4-[[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methyl]phenyl]methoxy]benzamide
• PubChem CID: 129237006
• Molecular Formula: C28H27F3N6O5
• Molecular Weight: 584.56 g/mol
• Exact Mass: 584.20
• IUPAC Name: N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-3-[[4-[[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methyl]phenyl]methoxy]benzamide
• SMILES: CN(C(=O)c1cccc(OCc2ccc(CN3CCn4nc(C(F)(F)F)nc4C3)cc2)c1C=O)C1CCC(=O)NC1=O
• InChI: InChI=1S/C28H27F3N6O5/c1-35(21-9-10-24(39)33-25(21)40)26(41)19-3-2-4-22(20(19)15-38)42-16-18-7-5-17(6-8-18)13-36-11-12-37-23(14-36)32-27(34-37)28(29,30)31/h2-8,15,21H,9-14,16H2,1H3,(H,33,39,40)
• InChIKey: WADQSNQPFUFHDY-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 126.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	584.56
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-3-[[4-[[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methyl]phenyl]methoxy]benzamide?

The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-3-[[4-[[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methyl]phenyl]methoxy]benzamide (CID 129237006) is N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-3-[[4-[[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methyl]phenyl]methoxy]benzamide.

What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-3-[[4-[[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methyl]phenyl]methoxy]benzamide?

The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-3-[[4-[[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methyl]phenyl]methoxy]benzamide is CN(C(=O)c1cccc(OCc2ccc(CN3CCn4nc(C(F)(F)F)nc4C3)cc2)c1C=O)C1CCC(=O)NC1=O.

What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-3-[[4-[[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methyl]phenyl]methoxy]benzamide?

The InChIKey is WADQSNQPFUFHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N6O5/c1-35(21-9-10-24(39)33-25(21)40)26(41)19-3-2-4-22(20(19)15-38)42-16-18-7-5-17(6-8-18)13-36-11-12-37-23(14-36)32-27(34-37)28(29,30)31/h2-8,15,21H,9-14,16H2,1H3,(H,33,39,40).

What are the key properties of N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-3-[[4-[[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methyl]phenyl]methoxy]benzamide?

N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-3-[[4-[[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methyl]phenyl]methoxy]benzamide has a molecular weight of 584.56 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-3-[[4-[[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methyl]phenyl]methoxy]benzamide is sourced from PubChem (CID 129237006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).