(2S)-N-[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide

C25H36FN3O6Si — CID 23786848

About (2S)-N-[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide

(2S)-N-[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide (PubChem CID 23786848) has the molecular formula C25H36FN3O6Si and a molecular weight of 521.66 g/mol. Its IUPAC name is (2S)-N-[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide.

Molecular Properties

• Compound Name: (2S)-N-[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide
• PubChem CID: 23786848
• Molecular Formula: C25H36FN3O6Si
• Molecular Weight: 521.66 g/mol
• Exact Mass: 521.24
• IUPAC Name: (2S)-N-[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide
• SMILES: C[C@H](O)C(=O)Nc1ccc2c(c1)[C@@]1(O[C@H](CC(=O)N3CCC[C@H]3CO)[C@@H]([Si](C)(C)F)[C@@H]1C)C(=O)N2C
• InChI: InChI=1S/C25H36FN3O6Si/c1-14-22(36(4,5)26)20(12-21(32)29-10-6-7-17(29)13-30)35-25(14)18-11-16(27-23(33)15(2)31)8-9-19(18)28(3)24(25)34/h8-9,11,14-15,17,20,22,30-31H,6-7,10,12-13H2,1-5H3,(H,27,33)/t14-,15-,17-,20+,22-,25+/m0/s1
• InChIKey: WVKKAQFMTJQYII-DBDDKXCASA-N
• XLogP: 2.13
• TPSA: 119.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.66
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	3
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 (2S)-N-[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide?

The IUPAC name of (2S)-N-[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide (CID 23786848) is (2S)-N-[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide.

What is the SMILES notation for (2S)-N-[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide?

The canonical SMILES for (2S)-N-[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide is C[C@H](O)C(=O)Nc1ccc2c(c1)[C@@]1(O[C@H](CC(=O)N3CCC[C@H]3CO)[C@@H]([Si](C)(C)F)[C@@H]1C)C(=O)N2C.

What is the InChIKey of (2S)-N-[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide?

The InChIKey is WVKKAQFMTJQYII-DBDDKXCASA-N. The full InChI is InChI=1S/C25H36FN3O6Si/c1-14-22(36(4,5)26)20(12-21(32)29-10-6-7-17(29)13-30)35-25(14)18-11-16(27-23(33)15(2)31)8-9-19(18)28(3)24(25)34/h8-9,11,14-15,17,20,22,30-31H,6-7,10,12-13H2,1-5H3,(H,27,33)/t14-,15-,17-,20+,22-,25+/m0/s1.

What are the key properties of (2S)-N-[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide?

(2S)-N-[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide has a molecular weight of 521.66 g/mol, XLogP of 2.13, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide is sourced from PubChem (CID 23786848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).