(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(1-oxophthalazin-2-yl)spiro[1H-indole-3,2'-oxolane]-2-one

C24H26FN3O4Si — CID 23984118

About (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(1-oxophthalazin-2-yl)spiro[1H-indole-3,2'-oxolane]-2-one

(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(1-oxophthalazin-2-yl)spiro[1H-indole-3,2'-oxolane]-2-one (PubChem CID 23984118) has the molecular formula C24H26FN3O4Si and a molecular weight of 467.57 g/mol. Its IUPAC name is (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(1-oxophthalazin-2-yl)spiro[1H-indole-3,2'-oxolane]-2-one.

Molecular Properties

• Compound Name: (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(1-oxophthalazin-2-yl)spiro[1H-indole-3,2'-oxolane]-2-one
• PubChem CID: 23984118
• Molecular Formula: C24H26FN3O4Si
• Molecular Weight: 467.57 g/mol
• Exact Mass: 467.17
• IUPAC Name: (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(1-oxophthalazin-2-yl)spiro[1H-indole-3,2'-oxolane]-2-one
• SMILES: C[C@@H]1[C@@H]([Si](C)(C)F)[C@H](CCO)O[C@@]12C(=O)Nc1ccc(-n3ncc4ccccc4c3=O)cc12
• InChI: InChI=1S/C24H26FN3O4Si/c1-14-21(33(2,3)25)20(10-11-29)32-24(14)18-12-16(8-9-19(18)27-23(24)31)28-22(30)17-7-5-4-6-15(17)13-26-28/h4-9,12-14,20-21,29H,10-11H2,1-3H3,(H,27,31)/t14-,20+,21-,24+/m1/s1
• InChIKey: VCMAMNYSBUBLPS-CMQRAJLNSA-N
• XLogP: 3.50
• TPSA: 93.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.57
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(1-oxophthalazin-2-yl)spiro[1H-indole-3,2'-oxolane]-2-one?

The IUPAC name of (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(1-oxophthalazin-2-yl)spiro[1H-indole-3,2'-oxolane]-2-one (CID 23984118) is (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(1-oxophthalazin-2-yl)spiro[1H-indole-3,2'-oxolane]-2-one.

What is the SMILES notation for (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(1-oxophthalazin-2-yl)spiro[1H-indole-3,2'-oxolane]-2-one?

The canonical SMILES for (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(1-oxophthalazin-2-yl)spiro[1H-indole-3,2'-oxolane]-2-one is C[C@@H]1[C@@H]([Si](C)(C)F)[C@H](CCO)O[C@@]12C(=O)Nc1ccc(-n3ncc4ccccc4c3=O)cc12.

What is the InChIKey of (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(1-oxophthalazin-2-yl)spiro[1H-indole-3,2'-oxolane]-2-one?

The InChIKey is VCMAMNYSBUBLPS-CMQRAJLNSA-N. The full InChI is InChI=1S/C24H26FN3O4Si/c1-14-21(33(2,3)25)20(10-11-29)32-24(14)18-12-16(8-9-19(18)27-23(24)31)28-22(30)17-7-5-4-6-15(17)13-26-28/h4-9,12-14,20-21,29H,10-11H2,1-3H3,(H,27,31)/t14-,20+,21-,24+/m1/s1.

What are the key properties of (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(1-oxophthalazin-2-yl)spiro[1H-indole-3,2'-oxolane]-2-one?

(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(1-oxophthalazin-2-yl)spiro[1H-indole-3,2'-oxolane]-2-one has a molecular weight of 467.57 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(1-oxophthalazin-2-yl)spiro[1H-indole-3,2'-oxolane]-2-one is sourced from PubChem (CID 23984118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).