(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-5-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)spiro[indole-3,2'-oxolane]-2-one

C30H39FN4O4Si — CID 23786606

About (3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-5-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)spiro[indole-3,2'-oxolane]-2-one

(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-5-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)spiro[indole-3,2'-oxolane]-2-one (PubChem CID 23786606) has the molecular formula C30H39FN4O4Si and a molecular weight of 566.75 g/mol. Its IUPAC name is (3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-5-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)spiro[indole-3,2'-oxolane]-2-one.

Molecular Properties

• Compound Name: (3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-5-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)spiro[indole-3,2'-oxolane]-2-one
• PubChem CID: 23786606
• Molecular Formula: C30H39FN4O4Si
• Molecular Weight: 566.75 g/mol
• Exact Mass: 566.27
• IUPAC Name: (3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-5-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)spiro[indole-3,2'-oxolane]-2-one
• SMILES: C[C@H]1[C@H]([Si](C)(C)F)[C@@H](CCO)O[C@]12C(=O)N(C)c1ccc(N3CN(c4ccccc4)C4(CCNCC4)C3=O)cc12
• InChI: InChI=1S/C30H39FN4O4Si/c1-20-26(40(3,4)31)25(12-17-36)39-30(20)23-18-22(10-11-24(23)33(2)28(30)38)34-19-35(21-8-6-5-7-9-21)29(27(34)37)13-15-32-16-14-29/h5-11,18,20,25-26,32,36H,12-17,19H2,1-4H3/t20-,25+,26-,30+/m0/s1
• InChIKey: FJQPPJPGUTXENG-ZLEDHLGDSA-N
• XLogP: 3.75
• TPSA: 85.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	566.75
LogP ≤ 5	3.75
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 (3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-5-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)spiro[indole-3,2'-oxolane]-2-one?

The IUPAC name of (3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-5-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)spiro[indole-3,2'-oxolane]-2-one (CID 23786606) is (3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-5-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)spiro[indole-3,2'-oxolane]-2-one.

What is the SMILES notation for (3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-5-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)spiro[indole-3,2'-oxolane]-2-one?

The canonical SMILES for (3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-5-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)spiro[indole-3,2'-oxolane]-2-one is C[C@H]1[C@H]([Si](C)(C)F)[C@@H](CCO)O[C@]12C(=O)N(C)c1ccc(N3CN(c4ccccc4)C4(CCNCC4)C3=O)cc12.

What is the InChIKey of (3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-5-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)spiro[indole-3,2'-oxolane]-2-one?

The InChIKey is FJQPPJPGUTXENG-ZLEDHLGDSA-N. The full InChI is InChI=1S/C30H39FN4O4Si/c1-20-26(40(3,4)31)25(12-17-36)39-30(20)23-18-22(10-11-24(23)33(2)28(30)38)34-19-35(21-8-6-5-7-9-21)29(27(34)37)13-15-32-16-14-29/h5-11,18,20,25-26,32,36H,12-17,19H2,1-4H3/t20-,25+,26-,30+/m0/s1.

What are the key properties of (3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-5-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)spiro[indole-3,2'-oxolane]-2-one?

(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-5-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)spiro[indole-3,2'-oxolane]-2-one has a molecular weight of 566.75 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-5-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)spiro[indole-3,2'-oxolane]-2-one is sourced from PubChem (CID 23786606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).