(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-5-(1-oxophthalazin-2-yl)spiro[indole-3,2'-oxolane]-2-one

C25H29N3O5Si — CID 23956034

About (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-5-(1-oxophthalazin-2-yl)spiro[indole-3,2'-oxolane]-2-one

(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-5-(1-oxophthalazin-2-yl)spiro[indole-3,2'-oxolane]-2-one (PubChem CID 23956034) has the molecular formula C25H29N3O5Si and a molecular weight of 479.61 g/mol. Its IUPAC name is (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-5-(1-oxophthalazin-2-yl)spiro[indole-3,2'-oxolane]-2-one.

Molecular Properties

• Compound Name: (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-5-(1-oxophthalazin-2-yl)spiro[indole-3,2'-oxolane]-2-one
• PubChem CID: 23956034
• Molecular Formula: C25H29N3O5Si
• Molecular Weight: 479.61 g/mol
• Exact Mass: 479.19
• IUPAC Name: (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-5-(1-oxophthalazin-2-yl)spiro[indole-3,2'-oxolane]-2-one
• SMILES: C[C@H]1[C@H]([Si](C)(C)O)[C@@H](CCO)O[C@]12C(=O)N(C)c1ccc(-n3ncc4ccccc4c3=O)cc12
• InChI: InChI=1S/C25H29N3O5Si/c1-15-22(34(3,4)32)21(11-12-29)33-25(15)19-13-17(9-10-20(19)27(2)24(25)31)28-23(30)18-8-6-5-7-16(18)14-26-28/h5-10,13-15,21-22,29,32H,11-12H2,1-4H3/t15-,21+,22-,25+/m0/s1
• InChIKey: BERWTPNRLWOKCY-MHOYTSCBSA-N
• XLogP: 2.54
• TPSA: 104.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.61
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-5-(1-oxophthalazin-2-yl)spiro[indole-3,2'-oxolane]-2-one?

The IUPAC name of (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-5-(1-oxophthalazin-2-yl)spiro[indole-3,2'-oxolane]-2-one (CID 23956034) is (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-5-(1-oxophthalazin-2-yl)spiro[indole-3,2'-oxolane]-2-one.

What is the SMILES notation for (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-5-(1-oxophthalazin-2-yl)spiro[indole-3,2'-oxolane]-2-one?

The canonical SMILES for (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-5-(1-oxophthalazin-2-yl)spiro[indole-3,2'-oxolane]-2-one is C[C@H]1[C@H]([Si](C)(C)O)[C@@H](CCO)O[C@]12C(=O)N(C)c1ccc(-n3ncc4ccccc4c3=O)cc12.

What is the InChIKey of (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-5-(1-oxophthalazin-2-yl)spiro[indole-3,2'-oxolane]-2-one?

The InChIKey is BERWTPNRLWOKCY-MHOYTSCBSA-N. The full InChI is InChI=1S/C25H29N3O5Si/c1-15-22(34(3,4)32)21(11-12-29)33-25(15)19-13-17(9-10-20(19)27(2)24(25)31)28-23(30)18-8-6-5-7-16(18)14-26-28/h5-10,13-15,21-22,29,32H,11-12H2,1-4H3/t15-,21+,22-,25+/m0/s1.

What are the key properties of (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-5-(1-oxophthalazin-2-yl)spiro[indole-3,2'-oxolane]-2-one?

(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-5-(1-oxophthalazin-2-yl)spiro[indole-3,2'-oxolane]-2-one has a molecular weight of 479.61 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-5-(1-oxophthalazin-2-yl)spiro[indole-3,2'-oxolane]-2-one is sourced from PubChem (CID 23956034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).