(3S,3'S,4'R,5'S)-5-bromo-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1-[[4-(3-methoxy-2-oxo-1-pyridinyl)phenyl]methyl]-3'-methylspiro[indole-3,2'-oxolane]-2-one

C34H40BrN3O7Si — CID 23985326

About (3S,3'S,4'R,5'S)-5-bromo-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1-[[4-(3-methoxy-2-oxo-1-pyridinyl)phenyl]methyl]-3'-methylspiro[indole-3,2'-oxolane]-2-one

(3S,3'S,4'R,5'S)-5-bromo-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1-[[4-(3-methoxy-2-oxo-1-pyridinyl)phenyl]methyl]-3'-methylspiro[indole-3,2'-oxolane]-2-one (PubChem CID 23985326) has the molecular formula C34H40BrN3O7Si and a molecular weight of 710.70 g/mol. Its IUPAC name is (3S,3'S,4'R,5'S)-5-bromo-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1-[[4-(3-methoxy-2-oxo-1-pyridinyl)phenyl]methyl]-3'-methylspiro[indole-3,2'-oxolane]-2-one.

Molecular Properties

• Compound Name: (3S,3'S,4'R,5'S)-5-bromo-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1-[[4-(3-methoxy-2-oxo-1-pyridinyl)phenyl]methyl]-3'-methylspiro[indole-3,2'-oxolane]-2-one
• PubChem CID: 23985326
• Molecular Formula: C34H40BrN3O7Si
• Molecular Weight: 710.70 g/mol
• Exact Mass: 709.18
• IUPAC Name: (3S,3'S,4'R,5'S)-5-bromo-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1-[[4-(3-methoxy-2-oxo-1-pyridinyl)phenyl]methyl]-3'-methylspiro[indole-3,2'-oxolane]-2-one
• SMILES: COc1cccn(-c2ccc(CN3C(=O)[C@@]4(O[C@@H](CC(=O)N5CCC[C@H]5CO)[C@H]([Si](C)(C)O)[C@H]4C)c4cc(Br)ccc43)cc2)c1=O
• InChI: InChI=1S/C34H40BrN3O7Si/c1-21-31(46(3,4)43)29(18-30(40)36-15-5-7-25(36)20-39)45-34(21)26-17-23(35)11-14-27(26)38(33(34)42)19-22-9-12-24(13-10-22)37-16-6-8-28(44-2)32(37)41/h6,8-14,16-17,21,25,29,31,39,43H,5,7,15,18-20H2,1-4H3/t21-,25+,29+,31-,34+/m1/s1
• InChIKey: UBTLKCLURWSTPN-QFJOLKLQSA-N
• XLogP: 4.33
• TPSA: 121.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	710.70
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3S,3'S,4'R,5'S)-5-bromo-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1-[[4-(3-methoxy-2-oxo-1-pyridinyl)phenyl]methyl]-3'-methylspiro[indole-3,2'-oxolane]-2-one?

The IUPAC name of (3S,3'S,4'R,5'S)-5-bromo-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1-[[4-(3-methoxy-2-oxo-1-pyridinyl)phenyl]methyl]-3'-methylspiro[indole-3,2'-oxolane]-2-one (CID 23985326) is (3S,3'S,4'R,5'S)-5-bromo-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1-[[4-(3-methoxy-2-oxo-1-pyridinyl)phenyl]methyl]-3'-methylspiro[indole-3,2'-oxolane]-2-one.

What is the SMILES notation for (3S,3'S,4'R,5'S)-5-bromo-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1-[[4-(3-methoxy-2-oxo-1-pyridinyl)phenyl]methyl]-3'-methylspiro[indole-3,2'-oxolane]-2-one?

The canonical SMILES for (3S,3'S,4'R,5'S)-5-bromo-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1-[[4-(3-methoxy-2-oxo-1-pyridinyl)phenyl]methyl]-3'-methylspiro[indole-3,2'-oxolane]-2-one is COc1cccn(-c2ccc(CN3C(=O)[C@@]4(O[C@@H](CC(=O)N5CCC[C@H]5CO)[C@H]([Si](C)(C)O)[C@H]4C)c4cc(Br)ccc43)cc2)c1=O.

What is the InChIKey of (3S,3'S,4'R,5'S)-5-bromo-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1-[[4-(3-methoxy-2-oxo-1-pyridinyl)phenyl]methyl]-3'-methylspiro[indole-3,2'-oxolane]-2-one?

The InChIKey is UBTLKCLURWSTPN-QFJOLKLQSA-N. The full InChI is InChI=1S/C34H40BrN3O7Si/c1-21-31(46(3,4)43)29(18-30(40)36-15-5-7-25(36)20-39)45-34(21)26-17-23(35)11-14-27(26)38(33(34)42)19-22-9-12-24(13-10-22)37-16-6-8-28(44-2)32(37)41/h6,8-14,16-17,21,25,29,31,39,43H,5,7,15,18-20H2,1-4H3/t21-,25+,29+,31-,34+/m1/s1.

What are the key properties of (3S,3'S,4'R,5'S)-5-bromo-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1-[[4-(3-methoxy-2-oxo-1-pyridinyl)phenyl]methyl]-3'-methylspiro[indole-3,2'-oxolane]-2-one?

(3S,3'S,4'R,5'S)-5-bromo-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1-[[4-(3-methoxy-2-oxo-1-pyridinyl)phenyl]methyl]-3'-methylspiro[indole-3,2'-oxolane]-2-one has a molecular weight of 710.70 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,3'S,4'R,5'S)-5-bromo-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1-[[4-(3-methoxy-2-oxo-1-pyridinyl)phenyl]methyl]-3'-methylspiro[indole-3,2'-oxolane]-2-one is sourced from PubChem (CID 23985326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).