3-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]triazol-1-yl]-N-(5-fluoro-7-hydroxy-6-methylnaphthalen-2-yl)propanamide

C30H26FN7O6 — CID 172511221

About 3-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]triazol-1-yl]-N-(5-fluoro-7-hydroxy-6-methylnaphthalen-2-yl)propanamide

3-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]triazol-1-yl]-N-(5-fluoro-7-hydroxy-6-methylnaphthalen-2-yl)propanamide (PubChem CID 172511221) has the molecular formula C30H26FN7O6 and a molecular weight of 599.58 g/mol. Its IUPAC name is 3-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]triazol-1-yl]-N-(5-fluoro-7-hydroxy-6-methylnaphthalen-2-yl)propanamide.

Molecular Properties

• Compound Name: 3-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]triazol-1-yl]-N-(5-fluoro-7-hydroxy-6-methylnaphthalen-2-yl)propanamide
• PubChem CID: 172511221
• Molecular Formula: C30H26FN7O6
• Molecular Weight: 599.58 g/mol
• Exact Mass: 599.19
• IUPAC Name: 3-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]triazol-1-yl]-N-(5-fluoro-7-hydroxy-6-methylnaphthalen-2-yl)propanamide
• SMILES: Cc1c(O)cc2cc(NC(=O)CCn3cc(CNc4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)nn3)ccc2c1F
• InChI: InChI=1S/C30H26FN7O6/c1-15-24(39)11-16-10-18(3-4-20(16)27(15)31)33-26(41)8-9-37-14-19(35-36-37)13-32-17-2-5-21-22(12-17)30(44)38(29(21)43)23-6-7-25(40)34-28(23)42/h2-5,10-12,14,23,32,39H,6-9,13H2,1H3,(H,33,41)(H,34,40,42)
• InChIKey: DJLXPSJGDNFECI-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 175.62 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	599.58
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]triazol-1-yl]-N-(5-fluoro-7-hydroxy-6-methylnaphthalen-2-yl)propanamide?

The IUPAC name of 3-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]triazol-1-yl]-N-(5-fluoro-7-hydroxy-6-methylnaphthalen-2-yl)propanamide (CID 172511221) is 3-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]triazol-1-yl]-N-(5-fluoro-7-hydroxy-6-methylnaphthalen-2-yl)propanamide.

What is the SMILES notation for 3-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]triazol-1-yl]-N-(5-fluoro-7-hydroxy-6-methylnaphthalen-2-yl)propanamide?

The canonical SMILES for 3-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]triazol-1-yl]-N-(5-fluoro-7-hydroxy-6-methylnaphthalen-2-yl)propanamide is Cc1c(O)cc2cc(NC(=O)CCn3cc(CNc4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)nn3)ccc2c1F.

What is the InChIKey of 3-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]triazol-1-yl]-N-(5-fluoro-7-hydroxy-6-methylnaphthalen-2-yl)propanamide?

The InChIKey is DJLXPSJGDNFECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN7O6/c1-15-24(39)11-16-10-18(3-4-20(16)27(15)31)33-26(41)8-9-37-14-19(35-36-37)13-32-17-2-5-21-22(12-17)30(44)38(29(21)43)23-6-7-25(40)34-28(23)42/h2-5,10-12,14,23,32,39H,6-9,13H2,1H3,(H,33,41)(H,34,40,42).

What are the key properties of 3-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]triazol-1-yl]-N-(5-fluoro-7-hydroxy-6-methylnaphthalen-2-yl)propanamide?

3-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]triazol-1-yl]-N-(5-fluoro-7-hydroxy-6-methylnaphthalen-2-yl)propanamide has a molecular weight of 599.58 g/mol, XLogP of 2.63, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]triazol-1-yl]-N-(5-fluoro-7-hydroxy-6-methylnaphthalen-2-yl)propanamide is sourced from PubChem (CID 172511221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).