(2R)-N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxo-1-phenylspiro[indole-3,2'-oxolane]-5-yl]pyrrolidine-2-carboxamide

C31H39FN6O4Si — CID 23815922

About (2R)-N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxo-1-phenylspiro[indole-3,2'-oxolane]-5-yl]pyrrolidine-2-carboxamide

(2R)-N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxo-1-phenylspiro[indole-3,2'-oxolane]-5-yl]pyrrolidine-2-carboxamide (PubChem CID 23815922) has the molecular formula C31H39FN6O4Si and a molecular weight of 606.78 g/mol. Its IUPAC name is (2R)-N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxo-1-phenylspiro[indole-3,2'-oxolane]-5-yl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxo-1-phenylspiro[indole-3,2'-oxolane]-5-yl]pyrrolidine-2-carboxamide
• PubChem CID: 23815922
• Molecular Formula: C31H39FN6O4Si
• Molecular Weight: 606.78 g/mol
• Exact Mass: 606.28
• IUPAC Name: (2R)-N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxo-1-phenylspiro[indole-3,2'-oxolane]-5-yl]pyrrolidine-2-carboxamide
• SMILES: C[C@@H]1[C@@H]([Si](C)(C)F)[C@H](CCn2cc(CCO)nn2)O[C@@]12C(=O)N(c1ccccc1)c1ccc(NC(=O)[C@H]3CCCN3)cc12
• InChI: InChI=1S/C31H39FN6O4Si/c1-20-28(43(2,3)32)27(13-16-37-19-22(14-17-39)35-36-37)42-31(20)24-18-21(34-29(40)25-10-7-15-33-25)11-12-26(24)38(30(31)41)23-8-5-4-6-9-23/h4-6,8-9,11-12,18-20,25,27-28,33,39H,7,10,13-17H2,1-3H3,(H,34,40)/t20-,25-,27+,28-,31+/m1/s1
• InChIKey: LZEHNRPAPYEPKW-RSXJFBSKSA-N
• XLogP: 4.05
• TPSA: 121.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	606.78
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	3
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 (2R)-N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxo-1-phenylspiro[indole-3,2'-oxolane]-5-yl]pyrrolidine-2-carboxamide?

The IUPAC name of (2R)-N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxo-1-phenylspiro[indole-3,2'-oxolane]-5-yl]pyrrolidine-2-carboxamide (CID 23815922) is (2R)-N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxo-1-phenylspiro[indole-3,2'-oxolane]-5-yl]pyrrolidine-2-carboxamide.

What is the SMILES notation for (2R)-N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxo-1-phenylspiro[indole-3,2'-oxolane]-5-yl]pyrrolidine-2-carboxamide?

The canonical SMILES for (2R)-N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxo-1-phenylspiro[indole-3,2'-oxolane]-5-yl]pyrrolidine-2-carboxamide is C[C@@H]1[C@@H]([Si](C)(C)F)[C@H](CCn2cc(CCO)nn2)O[C@@]12C(=O)N(c1ccccc1)c1ccc(NC(=O)[C@H]3CCCN3)cc12.

What is the InChIKey of (2R)-N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxo-1-phenylspiro[indole-3,2'-oxolane]-5-yl]pyrrolidine-2-carboxamide?

The InChIKey is LZEHNRPAPYEPKW-RSXJFBSKSA-N. The full InChI is InChI=1S/C31H39FN6O4Si/c1-20-28(43(2,3)32)27(13-16-37-19-22(14-17-39)35-36-37)42-31(20)24-18-21(34-29(40)25-10-7-15-33-25)11-12-26(24)38(30(31)41)23-8-5-4-6-9-23/h4-6,8-9,11-12,18-20,25,27-28,33,39H,7,10,13-17H2,1-3H3,(H,34,40)/t20-,25-,27+,28-,31+/m1/s1.

What are the key properties of (2R)-N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxo-1-phenylspiro[indole-3,2'-oxolane]-5-yl]pyrrolidine-2-carboxamide?

(2R)-N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxo-1-phenylspiro[indole-3,2'-oxolane]-5-yl]pyrrolidine-2-carboxamide has a molecular weight of 606.78 g/mol, XLogP of 4.05, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxo-1-phenylspiro[indole-3,2'-oxolane]-5-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 23815922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).