(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-[5-hydroxy-2-(4-oxopiperidin-1-yl)-2,3-dihydropyridin-6-yl]phenyl]ethynyl]imidazolidine-2,4-dione

C31H28FN5O6 — CID 143991506

About (5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-[5-hydroxy-2-(4-oxopiperidin-1-yl)-2,3-dihydropyridin-6-yl]phenyl]ethynyl]imidazolidine-2,4-dione

(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-[5-hydroxy-2-(4-oxopiperidin-1-yl)-2,3-dihydropyridin-6-yl]phenyl]ethynyl]imidazolidine-2,4-dione (PubChem CID 143991506) has the molecular formula C31H28FN5O6 and a molecular weight of 585.59 g/mol. Its IUPAC name is (5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-[5-hydroxy-2-(4-oxopiperidin-1-yl)-2,3-dihydropyridin-6-yl]phenyl]ethynyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-[5-hydroxy-2-(4-oxopiperidin-1-yl)-2,3-dihydropyridin-6-yl]phenyl]ethynyl]imidazolidine-2,4-dione
• PubChem CID: 143991506
• Molecular Formula: C31H28FN5O6
• Molecular Weight: 585.59 g/mol
• Exact Mass: 585.20
• IUPAC Name: (5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-[5-hydroxy-2-(4-oxopiperidin-1-yl)-2,3-dihydropyridin-6-yl]phenyl]ethynyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3ccc(C4=NC(N5CCC(=O)CC5)CC=C4O)cc3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C31H28FN5O6/c1-43-23-8-6-20-16-37(28(40)25(20)26(23)32)17-31(29(41)34-30(42)35-31)13-10-18-2-4-19(5-3-18)27-22(39)7-9-24(33-27)36-14-11-21(38)12-15-36/h2-8,24,39H,9,11-12,14-17H2,1H3,(H2,34,35,41,42)/t24?,31-/m1/s1
• InChIKey: DQGUWXPZHHMRGR-BMXGUMNWSA-N
• XLogP: 2.05
• TPSA: 140.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	585.59
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-[5-hydroxy-2-(4-oxopiperidin-1-yl)-2,3-dihydropyridin-6-yl]phenyl]ethynyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-[5-hydroxy-2-(4-oxopiperidin-1-yl)-2,3-dihydropyridin-6-yl]phenyl]ethynyl]imidazolidine-2,4-dione (CID 143991506) is (5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-[5-hydroxy-2-(4-oxopiperidin-1-yl)-2,3-dihydropyridin-6-yl]phenyl]ethynyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-[5-hydroxy-2-(4-oxopiperidin-1-yl)-2,3-dihydropyridin-6-yl]phenyl]ethynyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-[5-hydroxy-2-(4-oxopiperidin-1-yl)-2,3-dihydropyridin-6-yl]phenyl]ethynyl]imidazolidine-2,4-dione is COc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3ccc(C4=NC(N5CCC(=O)CC5)CC=C4O)cc3)NC(=O)NC1=O)C2.

What is the InChIKey of (5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-[5-hydroxy-2-(4-oxopiperidin-1-yl)-2,3-dihydropyridin-6-yl]phenyl]ethynyl]imidazolidine-2,4-dione?

The InChIKey is DQGUWXPZHHMRGR-BMXGUMNWSA-N. The full InChI is InChI=1S/C31H28FN5O6/c1-43-23-8-6-20-16-37(28(40)25(20)26(23)32)17-31(29(41)34-30(42)35-31)13-10-18-2-4-19(5-3-18)27-22(39)7-9-24(33-27)36-14-11-21(38)12-15-36/h2-8,24,39H,9,11-12,14-17H2,1H3,(H2,34,35,41,42)/t24?,31-/m1/s1.

What are the key properties of (5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-[5-hydroxy-2-(4-oxopiperidin-1-yl)-2,3-dihydropyridin-6-yl]phenyl]ethynyl]imidazolidine-2,4-dione?

(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-[5-hydroxy-2-(4-oxopiperidin-1-yl)-2,3-dihydropyridin-6-yl]phenyl]ethynyl]imidazolidine-2,4-dione has a molecular weight of 585.59 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-[5-hydroxy-2-(4-oxopiperidin-1-yl)-2,3-dihydropyridin-6-yl]phenyl]ethynyl]imidazolidine-2,4-dione is sourced from PubChem (CID 143991506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).