(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxopyrrolidin-1-yl)-1-phenylspiro[indole-3,2'-oxolane]-2-one

C31H38FN3O5Si — CID 23816210

About (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxopyrrolidin-1-yl)-1-phenylspiro[indole-3,2'-oxolane]-2-one

(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxopyrrolidin-1-yl)-1-phenylspiro[indole-3,2'-oxolane]-2-one (PubChem CID 23816210) has the molecular formula C31H38FN3O5Si and a molecular weight of 579.75 g/mol. Its IUPAC name is (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxopyrrolidin-1-yl)-1-phenylspiro[indole-3,2'-oxolane]-2-one.

Molecular Properties

• Compound Name: (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxopyrrolidin-1-yl)-1-phenylspiro[indole-3,2'-oxolane]-2-one
• PubChem CID: 23816210
• Molecular Formula: C31H38FN3O5Si
• Molecular Weight: 579.75 g/mol
• Exact Mass: 579.26
• IUPAC Name: (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxopyrrolidin-1-yl)-1-phenylspiro[indole-3,2'-oxolane]-2-one
• SMILES: C[C@@H]1[C@@H]([Si](C)(C)F)[C@H](CC(=O)N2CCC[C@H]2CO)O[C@@]12C(=O)N(c1ccccc1)c1ccc(N3CCCC3=O)cc12
• InChI: InChI=1S/C31H38FN3O5Si/c1-20-29(41(2,3)32)26(18-28(38)34-15-7-11-23(34)19-36)40-31(20)24-17-22(33-16-8-12-27(33)37)13-14-25(24)35(30(31)39)21-9-5-4-6-10-21/h4-6,9-10,13-14,17,20,23,26,29,36H,7-8,11-12,15-16,18-19H2,1-3H3/t20-,23+,26+,29-,31+/m1/s1
• InChIKey: ODYHNMLWZPJHEI-UKOJZWACSA-N
• XLogP: 4.64
• TPSA: 90.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	579.75
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxopyrrolidin-1-yl)-1-phenylspiro[indole-3,2'-oxolane]-2-one?

The IUPAC name of (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxopyrrolidin-1-yl)-1-phenylspiro[indole-3,2'-oxolane]-2-one (CID 23816210) is (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxopyrrolidin-1-yl)-1-phenylspiro[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-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxopyrrolidin-1-yl)-1-phenylspiro[indole-3,2'-oxolane]-2-one?

The canonical SMILES for (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxopyrrolidin-1-yl)-1-phenylspiro[indole-3,2'-oxolane]-2-one is C[C@@H]1[C@@H]([Si](C)(C)F)[C@H](CC(=O)N2CCC[C@H]2CO)O[C@@]12C(=O)N(c1ccccc1)c1ccc(N3CCCC3=O)cc12.

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

The InChIKey is ODYHNMLWZPJHEI-UKOJZWACSA-N. The full InChI is InChI=1S/C31H38FN3O5Si/c1-20-29(41(2,3)32)26(18-28(38)34-15-7-11-23(34)19-36)40-31(20)24-17-22(33-16-8-12-27(33)37)13-14-25(24)35(30(31)39)21-9-5-4-6-10-21/h4-6,9-10,13-14,17,20,23,26,29,36H,7-8,11-12,15-16,18-19H2,1-3H3/t20-,23+,26+,29-,31+/m1/s1.

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

(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxopyrrolidin-1-yl)-1-phenylspiro[indole-3,2'-oxolane]-2-one has a molecular weight of 579.75 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 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-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxopyrrolidin-1-yl)-1-phenylspiro[indole-3,2'-oxolane]-2-one is sourced from PubChem (CID 23816210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).