(2'R,3S,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-5-fluoro-5'-(6-pyrrolidin-1-ylhexanoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

C32H39Cl2F2N3O2 — CID 58254286

About (2'R,3S,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-5-fluoro-5'-(6-pyrrolidin-1-ylhexanoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

(2'R,3S,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-5-fluoro-5'-(6-pyrrolidin-1-ylhexanoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 58254286) has the molecular formula C32H39Cl2F2N3O2 and a molecular weight of 606.59 g/mol. Its IUPAC name is (2'R,3S,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-5-fluoro-5'-(6-pyrrolidin-1-ylhexanoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

• Compound Name: (2'R,3S,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-5-fluoro-5'-(6-pyrrolidin-1-ylhexanoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
• PubChem CID: 58254286
• Molecular Formula: C32H39Cl2F2N3O2
• Molecular Weight: 606.59 g/mol
• Exact Mass: 605.24
• IUPAC Name: (2'R,3S,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-5-fluoro-5'-(6-pyrrolidin-1-ylhexanoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
• SMILES: CC(C)(C)C[C@H]1N[C@@H](C(=O)CCCCCN2CCCC2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12
• InChI: InChI=1S/C32H39Cl2F2N3O2/c1-31(2,3)18-26-32(20-16-23(35)22(34)17-24(20)37-30(32)41)27(19-10-9-11-21(33)28(19)36)29(38-26)25(40)12-5-4-6-13-39-14-7-8-15-39/h9-11,16-17,26-27,29,38H,4-8,12-15,18H2,1-3H3,(H,37,41)/t26-,27+,29+,32+/m1/s1
• InChIKey: MUHLRNXQVWQYJK-DMLGLVBBSA-N
• XLogP: 7.25
• TPSA: 61.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.59
LogP ≤ 5	7.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2'R,3S,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-5-fluoro-5'-(6-pyrrolidin-1-ylhexanoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?

The IUPAC name of (2'R,3S,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-5-fluoro-5'-(6-pyrrolidin-1-ylhexanoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 58254286) is (2'R,3S,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-5-fluoro-5'-(6-pyrrolidin-1-ylhexanoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

What is the SMILES notation for (2'R,3S,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-5-fluoro-5'-(6-pyrrolidin-1-ylhexanoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?

The canonical SMILES for (2'R,3S,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-5-fluoro-5'-(6-pyrrolidin-1-ylhexanoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is CC(C)(C)C[C@H]1N[C@@H](C(=O)CCCCCN2CCCC2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12.

What is the InChIKey of (2'R,3S,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-5-fluoro-5'-(6-pyrrolidin-1-ylhexanoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?

The InChIKey is MUHLRNXQVWQYJK-DMLGLVBBSA-N. The full InChI is InChI=1S/C32H39Cl2F2N3O2/c1-31(2,3)18-26-32(20-16-23(35)22(34)17-24(20)37-30(32)41)27(19-10-9-11-21(33)28(19)36)29(38-26)25(40)12-5-4-6-13-39-14-7-8-15-39/h9-11,16-17,26-27,29,38H,4-8,12-15,18H2,1-3H3,(H,37,41)/t26-,27+,29+,32+/m1/s1.

What are the key properties of (2'R,3S,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-5-fluoro-5'-(6-pyrrolidin-1-ylhexanoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?

(2'R,3S,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-5-fluoro-5'-(6-pyrrolidin-1-ylhexanoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 606.59 g/mol, XLogP of 7.25, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2'R,3S,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-5-fluoro-5'-(6-pyrrolidin-1-ylhexanoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 58254286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).