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

C35H37FN6O4Si — CID 23757449

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

(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-1,3'-dimethyl-5-(1-oxophthalazin-2-yl)spiro[indole-3,2'-oxolane]-2-one (PubChem CID 23757449) has the molecular formula C35H37FN6O4Si and a molecular weight of 652.80 g/mol. Its IUPAC name is (3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-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'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-1,3'-dimethyl-5-(1-oxophthalazin-2-yl)spiro[indole-3,2'-oxolane]-2-one
• PubChem CID: 23757449
• Molecular Formula: C35H37FN6O4Si
• Molecular Weight: 652.80 g/mol
• Exact Mass: 652.26
• IUPAC Name: (3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-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)F)[C@@H](CCn2cc(C(CO)c3ccccc3)nn2)O[C@]12C(=O)N(C)c1ccc(-n3ncc4ccccc4c3=O)cc12
• InChI: InChI=1S/C35H37FN6O4Si/c1-22-32(47(3,4)36)31(16-17-41-20-29(38-39-41)27(21-43)23-10-6-5-7-11-23)46-35(22)28-18-25(14-15-30(28)40(2)34(35)45)42-33(44)26-13-9-8-12-24(26)19-37-42/h5-15,18-20,22,27,31-32,43H,16-17,21H2,1-4H3/t22-,27?,31+,32-,35+/m0/s1
• InChIKey: VGDNAJUJHLAPCN-VYNWVXRRSA-N
• XLogP: 4.94
• TPSA: 115.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	652.80
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

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 (3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-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'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-1,3'-dimethyl-5-(1-oxophthalazin-2-yl)spiro[indole-3,2'-oxolane]-2-one (CID 23757449) is (3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-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'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-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'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-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)F)[C@@H](CCn2cc(C(CO)c3ccccc3)nn2)O[C@]12C(=O)N(C)c1ccc(-n3ncc4ccccc4c3=O)cc12.

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

The InChIKey is VGDNAJUJHLAPCN-VYNWVXRRSA-N. The full InChI is InChI=1S/C35H37FN6O4Si/c1-22-32(47(3,4)36)31(16-17-41-20-29(38-39-41)27(21-43)23-10-6-5-7-11-23)46-35(22)28-18-25(14-15-30(28)40(2)34(35)45)42-33(44)26-13-9-8-12-24(26)19-37-42/h5-15,18-20,22,27,31-32,43H,16-17,21H2,1-4H3/t22-,27?,31+,32-,35+/m0/s1.

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

(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-1,3'-dimethyl-5-(1-oxophthalazin-2-yl)spiro[indole-3,2'-oxolane]-2-one has a molecular weight of 652.80 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-1,3'-dimethyl-5-(1-oxophthalazin-2-yl)spiro[indole-3,2'-oxolane]-2-one is sourced from PubChem (CID 23757449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).