(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-5-(3-methoxy-2-oxo-1-pyridinyl)-3'-methylspiro[1H-indole-3,2'-oxolane]-2-one

C26H32FN5O5Si — CID 23757785

About (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-5-(3-methoxy-2-oxo-1-pyridinyl)-3'-methylspiro[1H-indole-3,2'-oxolane]-2-one

(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-5-(3-methoxy-2-oxo-1-pyridinyl)-3'-methylspiro[1H-indole-3,2'-oxolane]-2-one (PubChem CID 23757785) has the molecular formula C26H32FN5O5Si and a molecular weight of 541.66 g/mol. Its IUPAC name is (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-5-(3-methoxy-2-oxo-1-pyridinyl)-3'-methylspiro[1H-indole-3,2'-oxolane]-2-one.

Molecular Properties

• Compound Name: (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-5-(3-methoxy-2-oxo-1-pyridinyl)-3'-methylspiro[1H-indole-3,2'-oxolane]-2-one
• PubChem CID: 23757785
• Molecular Formula: C26H32FN5O5Si
• Molecular Weight: 541.66 g/mol
• Exact Mass: 541.22
• IUPAC Name: (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-5-(3-methoxy-2-oxo-1-pyridinyl)-3'-methylspiro[1H-indole-3,2'-oxolane]-2-one
• SMILES: COc1cccn(-c2ccc3c(c2)[C@]2(O[C@@H](CCn4cc(CCO)nn4)[C@H]([Si](C)(C)F)[C@H]2C)C(=O)N3)c1=O
• InChI: InChI=1S/C26H32FN5O5Si/c1-16-23(38(3,4)27)21(9-12-31-15-17(10-13-33)29-30-31)37-26(16)19-14-18(7-8-20(19)28-25(26)35)32-11-5-6-22(36-2)24(32)34/h5-8,11,14-16,21,23,33H,9-10,12-13H2,1-4H3,(H,28,35)/t16-,21+,23-,26+/m1/s1
• InChIKey: KZGXEJYKWADGNP-LQZQFQIBSA-N
• XLogP: 2.79
• TPSA: 120.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.66
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	2
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 (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-5-(3-methoxy-2-oxo-1-pyridinyl)-3'-methylspiro[1H-indole-3,2'-oxolane]-2-one?

The IUPAC name of (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-5-(3-methoxy-2-oxo-1-pyridinyl)-3'-methylspiro[1H-indole-3,2'-oxolane]-2-one (CID 23757785) is (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-5-(3-methoxy-2-oxo-1-pyridinyl)-3'-methylspiro[1H-indole-3,2'-oxolane]-2-one.

What is the SMILES notation for (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-5-(3-methoxy-2-oxo-1-pyridinyl)-3'-methylspiro[1H-indole-3,2'-oxolane]-2-one?

The canonical SMILES for (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-5-(3-methoxy-2-oxo-1-pyridinyl)-3'-methylspiro[1H-indole-3,2'-oxolane]-2-one is COc1cccn(-c2ccc3c(c2)[C@]2(O[C@@H](CCn4cc(CCO)nn4)[C@H]([Si](C)(C)F)[C@H]2C)C(=O)N3)c1=O.

What is the InChIKey of (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-5-(3-methoxy-2-oxo-1-pyridinyl)-3'-methylspiro[1H-indole-3,2'-oxolane]-2-one?

The InChIKey is KZGXEJYKWADGNP-LQZQFQIBSA-N. The full InChI is InChI=1S/C26H32FN5O5Si/c1-16-23(38(3,4)27)21(9-12-31-15-17(10-13-33)29-30-31)37-26(16)19-14-18(7-8-20(19)28-25(26)35)32-11-5-6-22(36-2)24(32)34/h5-8,11,14-16,21,23,33H,9-10,12-13H2,1-4H3,(H,28,35)/t16-,21+,23-,26+/m1/s1.

What are the key properties of (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-5-(3-methoxy-2-oxo-1-pyridinyl)-3'-methylspiro[1H-indole-3,2'-oxolane]-2-one?

(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-5-(3-methoxy-2-oxo-1-pyridinyl)-3'-methylspiro[1H-indole-3,2'-oxolane]-2-one has a molecular weight of 541.66 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-5-(3-methoxy-2-oxo-1-pyridinyl)-3'-methylspiro[1H-indole-3,2'-oxolane]-2-one is sourced from PubChem (CID 23757785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).