(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-(2-oxopiperazin-1-yl)spiro[indole-3,2'-oxolane]-2-one

C31H39FN6O4Si — CID 23983923

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-(2-oxopiperazin-1-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-(2-oxopiperazin-1-yl)spiro[indole-3,2'-oxolane]-2-one (PubChem CID 23983923) has the molecular formula C31H39FN6O4Si and a molecular weight of 606.78 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-(2-oxopiperazin-1-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-(2-oxopiperazin-1-yl)spiro[indole-3,2'-oxolane]-2-one
• PubChem CID: 23983923
• Molecular Formula: C31H39FN6O4Si
• Molecular Weight: 606.78 g/mol
• Exact Mass: 606.28
• 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-(2-oxopiperazin-1-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(N3CCNCC3=O)cc12
• InChI: InChI=1S/C31H39FN6O4Si/c1-20-29(43(3,4)32)27(12-14-37-18-25(34-35-37)23(19-39)21-8-6-5-7-9-21)42-31(20)24-16-22(38-15-13-33-17-28(38)40)10-11-26(24)36(2)30(31)41/h5-11,16,18,20,23,27,29,33,39H,12-15,17,19H2,1-4H3/t20-,23?,27+,29-,31+/m0/s1
• InChIKey: BBDBPXAXOVOIFG-JWOPCUENSA-N
• XLogP: 3.18
• TPSA: 112.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	606.78
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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-(2-oxopiperazin-1-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-(2-oxopiperazin-1-yl)spiro[indole-3,2'-oxolane]-2-one (CID 23983923) 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-(2-oxopiperazin-1-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-(2-oxopiperazin-1-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-(2-oxopiperazin-1-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(N3CCNCC3=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-(2-oxopiperazin-1-yl)spiro[indole-3,2'-oxolane]-2-one?

The InChIKey is BBDBPXAXOVOIFG-JWOPCUENSA-N. The full InChI is InChI=1S/C31H39FN6O4Si/c1-20-29(43(3,4)32)27(12-14-37-18-25(34-35-37)23(19-39)21-8-6-5-7-9-21)42-31(20)24-16-22(38-15-13-33-17-28(38)40)10-11-26(24)36(2)30(31)41/h5-11,16,18,20,23,27,29,33,39H,12-15,17,19H2,1-4H3/t20-,23?,27+,29-,31+/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-(2-oxopiperazin-1-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-(2-oxopiperazin-1-yl)spiro[indole-3,2'-oxolane]-2-one has a molecular weight of 606.78 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 8 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-(2-oxopiperazin-1-yl)spiro[indole-3,2'-oxolane]-2-one is sourced from PubChem (CID 23983923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).