N-[(3R,3'R,4'S,5'R)-1-benzyl-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-N-phenylformamide

C34H38FN5O4Si — CID 23929701

About N-[(3R,3'R,4'S,5'R)-1-benzyl-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-N-phenylformamide

N-[(3R,3'R,4'S,5'R)-1-benzyl-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-N-phenylformamide (PubChem CID 23929701) has the molecular formula C34H38FN5O4Si and a molecular weight of 627.79 g/mol. Its IUPAC name is N-[(3R,3'R,4'S,5'R)-1-benzyl-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-N-phenylformamide.

Molecular Properties

• Compound Name: N-[(3R,3'R,4'S,5'R)-1-benzyl-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-N-phenylformamide
• PubChem CID: 23929701
• Molecular Formula: C34H38FN5O4Si
• Molecular Weight: 627.79 g/mol
• Exact Mass: 627.27
• IUPAC Name: N-[(3R,3'R,4'S,5'R)-1-benzyl-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-N-phenylformamide
• SMILES: C[C@H]1[C@H]([Si](C)(C)F)[C@@H](CCn2cc(CCO)nn2)O[C@]12C(=O)N(Cc1ccccc1)c1ccc(N(C=O)c3ccccc3)cc12
• InChI: InChI=1S/C34H38FN5O4Si/c1-24-32(45(2,3)35)31(16-18-38-22-26(17-19-41)36-37-38)44-34(24)29-20-28(40(23-42)27-12-8-5-9-13-27)14-15-30(29)39(33(34)43)21-25-10-6-4-7-11-25/h4-15,20,22-24,31-32,41H,16-19,21H2,1-3H3/t24-,31+,32-,34+/m0/s1
• InChIKey: LHCIOOYVNMDMGA-ZKASZLECSA-N
• XLogP: 5.52
• TPSA: 100.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	627.79
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(3R,3'R,4'S,5'R)-1-benzyl-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-N-phenylformamide?

The IUPAC name of N-[(3R,3'R,4'S,5'R)-1-benzyl-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-N-phenylformamide (CID 23929701) is N-[(3R,3'R,4'S,5'R)-1-benzyl-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-N-phenylformamide.

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

The canonical SMILES for N-[(3R,3'R,4'S,5'R)-1-benzyl-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-N-phenylformamide is C[C@H]1[C@H]([Si](C)(C)F)[C@@H](CCn2cc(CCO)nn2)O[C@]12C(=O)N(Cc1ccccc1)c1ccc(N(C=O)c3ccccc3)cc12.

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

The InChIKey is LHCIOOYVNMDMGA-ZKASZLECSA-N. The full InChI is InChI=1S/C34H38FN5O4Si/c1-24-32(45(2,3)35)31(16-18-38-22-26(17-19-41)36-37-38)44-34(24)29-20-28(40(23-42)27-12-8-5-9-13-27)14-15-30(29)39(33(34)43)21-25-10-6-4-7-11-25/h4-15,20,22-24,31-32,41H,16-19,21H2,1-3H3/t24-,31+,32-,34+/m0/s1.

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

N-[(3R,3'R,4'S,5'R)-1-benzyl-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-N-phenylformamide has a molecular weight of 627.79 g/mol, XLogP of 5.52, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R,3'R,4'S,5'R)-1-benzyl-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-N-phenylformamide is sourced from PubChem (CID 23929701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).