6-[7,7-difluoro-2-[(2S,3R)-3-hydroxy-2-methylazetidin-1-yl]-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]-3'-propylspiro[2H-1-benzofuran-3,5'-imidazolidine]-2',4'-dione

C24H25F2N5O4 — CID 165396780

About 6-[7,7-difluoro-2-[(2S,3R)-3-hydroxy-2-methylazetidin-1-yl]-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]-3'-propylspiro[2H-1-benzofuran-3,5'-imidazolidine]-2',4'-dione

6-[7,7-difluoro-2-[(2S,3R)-3-hydroxy-2-methylazetidin-1-yl]-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]-3'-propylspiro[2H-1-benzofuran-3,5'-imidazolidine]-2',4'-dione (PubChem CID 165396780) has the molecular formula C24H25F2N5O4 and a molecular weight of 485.49 g/mol. Its IUPAC name is 6-[7,7-difluoro-2-[(2S,3R)-3-hydroxy-2-methylazetidin-1-yl]-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]-3'-propylspiro[2H-1-benzofuran-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

• Compound Name: 6-[7,7-difluoro-2-[(2S,3R)-3-hydroxy-2-methylazetidin-1-yl]-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]-3'-propylspiro[2H-1-benzofuran-3,5'-imidazolidine]-2',4'-dione
• PubChem CID: 165396780
• Molecular Formula: C24H25F2N5O4
• Molecular Weight: 485.49 g/mol
• Exact Mass: 485.19
• IUPAC Name: 6-[7,7-difluoro-2-[(2S,3R)-3-hydroxy-2-methylazetidin-1-yl]-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]-3'-propylspiro[2H-1-benzofuran-3,5'-imidazolidine]-2',4'-dione
• SMILES: CCCN1C(=O)NC2(COc3cc(-c4nc(N5C[C@@H](O)[C@@H]5C)nc5c4CCC5(F)F)ccc32)C1=O
• InChI: InChI=1S/C24H25F2N5O4/c1-3-8-30-20(33)23(29-22(30)34)11-35-17-9-13(4-5-15(17)23)18-14-6-7-24(25,26)19(14)28-21(27-18)31-10-16(32)12(31)2/h4-5,9,12,16,32H,3,6-8,10-11H2,1-2H3,(H,29,34)/t12-,16+,23?/m0/s1
• InChIKey: NCQJCKHWDKTWCE-RPZHCNNNSA-N
• XLogP: 2.30
• TPSA: 107.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.49
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[7,7-difluoro-2-[(2S,3R)-3-hydroxy-2-methylazetidin-1-yl]-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]-3'-propylspiro[2H-1-benzofuran-3,5'-imidazolidine]-2',4'-dione?

The IUPAC name of 6-[7,7-difluoro-2-[(2S,3R)-3-hydroxy-2-methylazetidin-1-yl]-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]-3'-propylspiro[2H-1-benzofuran-3,5'-imidazolidine]-2',4'-dione (CID 165396780) is 6-[7,7-difluoro-2-[(2S,3R)-3-hydroxy-2-methylazetidin-1-yl]-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]-3'-propylspiro[2H-1-benzofuran-3,5'-imidazolidine]-2',4'-dione.

What is the SMILES notation for 6-[7,7-difluoro-2-[(2S,3R)-3-hydroxy-2-methylazetidin-1-yl]-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]-3'-propylspiro[2H-1-benzofuran-3,5'-imidazolidine]-2',4'-dione?

The canonical SMILES for 6-[7,7-difluoro-2-[(2S,3R)-3-hydroxy-2-methylazetidin-1-yl]-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]-3'-propylspiro[2H-1-benzofuran-3,5'-imidazolidine]-2',4'-dione is CCCN1C(=O)NC2(COc3cc(-c4nc(N5C[C@@H](O)[C@@H]5C)nc5c4CCC5(F)F)ccc32)C1=O.

What is the InChIKey of 6-[7,7-difluoro-2-[(2S,3R)-3-hydroxy-2-methylazetidin-1-yl]-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]-3'-propylspiro[2H-1-benzofuran-3,5'-imidazolidine]-2',4'-dione?

The InChIKey is NCQJCKHWDKTWCE-RPZHCNNNSA-N. The full InChI is InChI=1S/C24H25F2N5O4/c1-3-8-30-20(33)23(29-22(30)34)11-35-17-9-13(4-5-15(17)23)18-14-6-7-24(25,26)19(14)28-21(27-18)31-10-16(32)12(31)2/h4-5,9,12,16,32H,3,6-8,10-11H2,1-2H3,(H,29,34)/t12-,16+,23?/m0/s1.

What are the key properties of 6-[7,7-difluoro-2-[(2S,3R)-3-hydroxy-2-methylazetidin-1-yl]-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]-3'-propylspiro[2H-1-benzofuran-3,5'-imidazolidine]-2',4'-dione?

6-[7,7-difluoro-2-[(2S,3R)-3-hydroxy-2-methylazetidin-1-yl]-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]-3'-propylspiro[2H-1-benzofuran-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 485.49 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[7,7-difluoro-2-[(2S,3R)-3-hydroxy-2-methylazetidin-1-yl]-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]-3'-propylspiro[2H-1-benzofuran-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 165396780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).