(3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-5-(3-oxo-1H-indazol-2-yl)spiro[indole-3,2'-oxolane]-2-one

C31H35N3O5Si — CID 23956297

About (3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-5-(3-oxo-1H-indazol-2-yl)spiro[indole-3,2'-oxolane]-2-one

(3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-5-(3-oxo-1H-indazol-2-yl)spiro[indole-3,2'-oxolane]-2-one (PubChem CID 23956297) has the molecular formula C31H35N3O5Si and a molecular weight of 557.72 g/mol. Its IUPAC name is (3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-5-(3-oxo-1H-indazol-2-yl)spiro[indole-3,2'-oxolane]-2-one.

Molecular Properties

• Compound Name: (3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-5-(3-oxo-1H-indazol-2-yl)spiro[indole-3,2'-oxolane]-2-one
• PubChem CID: 23956297
• Molecular Formula: C31H35N3O5Si
• Molecular Weight: 557.72 g/mol
• Exact Mass: 557.23
• IUPAC Name: (3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-5-(3-oxo-1H-indazol-2-yl)spiro[indole-3,2'-oxolane]-2-one
• SMILES: COc1ccc([Si](C)(C)[C@H]2[C@H](CCO)O[C@@]3(C(=O)N(C)c4ccc(-n5[nH]c6ccccc6c5=O)cc43)[C@@H]2C)cc1
• InChI: InChI=1S/C31H35N3O5Si/c1-19-28(40(4,5)22-13-11-21(38-3)12-14-22)27(16-17-35)39-31(19)24-18-20(10-15-26(24)33(2)30(31)37)34-29(36)23-8-6-7-9-25(23)32-34/h6-15,18-19,27-28,32,35H,16-17H2,1-5H3/t19-,27+,28-,31+/m1/s1
• InChIKey: DLOGYYMXLNGDFN-LENDCNGZSA-N
• XLogP: 3.90
• TPSA: 96.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.72
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-5-(3-oxo-1H-indazol-2-yl)spiro[indole-3,2'-oxolane]-2-one?

The IUPAC name of (3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-5-(3-oxo-1H-indazol-2-yl)spiro[indole-3,2'-oxolane]-2-one (CID 23956297) is (3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-5-(3-oxo-1H-indazol-2-yl)spiro[indole-3,2'-oxolane]-2-one.

What is the SMILES notation for (3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-5-(3-oxo-1H-indazol-2-yl)spiro[indole-3,2'-oxolane]-2-one?

The canonical SMILES for (3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-5-(3-oxo-1H-indazol-2-yl)spiro[indole-3,2'-oxolane]-2-one is COc1ccc([Si](C)(C)[C@H]2[C@H](CCO)O[C@@]3(C(=O)N(C)c4ccc(-n5[nH]c6ccccc6c5=O)cc43)[C@@H]2C)cc1.

What is the InChIKey of (3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-5-(3-oxo-1H-indazol-2-yl)spiro[indole-3,2'-oxolane]-2-one?

The InChIKey is DLOGYYMXLNGDFN-LENDCNGZSA-N. The full InChI is InChI=1S/C31H35N3O5Si/c1-19-28(40(4,5)22-13-11-21(38-3)12-14-22)27(16-17-35)39-31(19)24-18-20(10-15-26(24)33(2)30(31)37)34-29(36)23-8-6-7-9-25(23)32-34/h6-15,18-19,27-28,32,35H,16-17H2,1-5H3/t19-,27+,28-,31+/m1/s1.

What are the key properties of (3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-5-(3-oxo-1H-indazol-2-yl)spiro[indole-3,2'-oxolane]-2-one?

(3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-5-(3-oxo-1H-indazol-2-yl)spiro[indole-3,2'-oxolane]-2-one has a molecular weight of 557.72 g/mol, XLogP of 3.90, 6 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)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-5-(3-oxo-1H-indazol-2-yl)spiro[indole-3,2'-oxolane]-2-one is sourced from PubChem (CID 23956297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).