N-[4-[[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-[[2-(1H-indol-3-yl)acetyl]amino]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-2-(1H-indol-3-yl)acetamide

C43H44FN5O5Si — CID 23900836

About N-[4-[[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-[[2-(1H-indol-3-yl)acetyl]amino]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-2-(1H-indol-3-yl)acetamide

N-[4-[[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-[[2-(1H-indol-3-yl)acetyl]amino]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 23900836) has the molecular formula C43H44FN5O5Si and a molecular weight of 757.94 g/mol. Its IUPAC name is N-[4-[[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-[[2-(1H-indol-3-yl)acetyl]amino]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[4-[[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-[[2-(1H-indol-3-yl)acetyl]amino]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-2-(1H-indol-3-yl)acetamide
• PubChem CID: 23900836
• Molecular Formula: C43H44FN5O5Si
• Molecular Weight: 757.94 g/mol
• Exact Mass: 757.31
• IUPAC Name: N-[4-[[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-[[2-(1H-indol-3-yl)acetyl]amino]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-2-(1H-indol-3-yl)acetamide
• SMILES: C[C@H]1[C@H]([Si](C)(C)F)[C@@H](CCO)O[C@]12C(=O)N(Cc1ccc(NC(=O)Cc3c[nH]c4ccccc34)cc1)c1ccc(NC(=O)Cc3c[nH]c4ccccc34)cc12
• InChI: InChI=1S/C43H44FN5O5Si/c1-26-41(55(2,3)44)38(18-19-50)54-43(26)34-22-31(48-40(52)21-29-24-46-36-11-7-5-9-33(29)36)16-17-37(34)49(42(43)53)25-27-12-14-30(15-13-27)47-39(51)20-28-23-45-35-10-6-4-8-32(28)35/h4-17,22-24,26,38,41,45-46,50H,18-21,25H2,1-3H3,(H,47,51)(H,48,52)/t26-,38+,41-,43+/m0/s1
• InChIKey: KPDKJROJMIIGRF-MLMAGAIJSA-N
• XLogP: 7.72
• TPSA: 139.55 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	757.94
LogP ≤ 5	7.72
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

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 N-[4-[[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-[[2-(1H-indol-3-yl)acetyl]amino]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-2-(1H-indol-3-yl)acetamide?

The IUPAC name of N-[4-[[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-[[2-(1H-indol-3-yl)acetyl]amino]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-2-(1H-indol-3-yl)acetamide (CID 23900836) is N-[4-[[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-[[2-(1H-indol-3-yl)acetyl]amino]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-2-(1H-indol-3-yl)acetamide.

What is the SMILES notation for N-[4-[[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-[[2-(1H-indol-3-yl)acetyl]amino]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-2-(1H-indol-3-yl)acetamide?

The canonical SMILES for N-[4-[[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-[[2-(1H-indol-3-yl)acetyl]amino]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-2-(1H-indol-3-yl)acetamide is C[C@H]1[C@H]([Si](C)(C)F)[C@@H](CCO)O[C@]12C(=O)N(Cc1ccc(NC(=O)Cc3c[nH]c4ccccc34)cc1)c1ccc(NC(=O)Cc3c[nH]c4ccccc34)cc12.

What is the InChIKey of N-[4-[[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-[[2-(1H-indol-3-yl)acetyl]amino]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-2-(1H-indol-3-yl)acetamide?

The InChIKey is KPDKJROJMIIGRF-MLMAGAIJSA-N. The full InChI is InChI=1S/C43H44FN5O5Si/c1-26-41(55(2,3)44)38(18-19-50)54-43(26)34-22-31(48-40(52)21-29-24-46-36-11-7-5-9-33(29)36)16-17-37(34)49(42(43)53)25-27-12-14-30(15-13-27)47-39(51)20-28-23-45-35-10-6-4-8-32(28)35/h4-17,22-24,26,38,41,45-46,50H,18-21,25H2,1-3H3,(H,47,51)(H,48,52)/t26-,38+,41-,43+/m0/s1.

What are the key properties of N-[4-[[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-[[2-(1H-indol-3-yl)acetyl]amino]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-2-(1H-indol-3-yl)acetamide?

N-[4-[[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-[[2-(1H-indol-3-yl)acetyl]amino]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 757.94 g/mol, XLogP of 7.72, 11 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-[[2-(1H-indol-3-yl)acetyl]amino]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 23900836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).