2-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-carbonyl]-N-(2,5-difluorophenyl)-4-methylpentanamide

C25H24F2N4O3 — CID 168892721

IUPAC2-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-carbonyl]-N-(2,5-difluorophenyl)-4-methylpentanamide
SMILESCC(C)CC(C(=O)Nc1cc(F)ccc1F)C(=O)N1C[C@]2(CC1C#N)C(=O)Nc1ccccc12
InChIInChI=1S/C25H24F2N4O3/c1-14(2)9-17(22(32)29-21-10-15(26)7-8-19(21)27)23(33)31-13-25(11-16(31)12-28)18-5-3-4-6-20(18)30-24(25)34/h3-8,10,14,16-17H,9,11,13H2,1-2H3,(H,29,32)(H,30,34)/t16?,17?,25-/m0/s1
InChIKeyHVIFYUVEQXDUPN-SBSMMSGMSA-N
MW466.49 g/mol
LogP3.58
Rot. Bonds5

About 2-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-carbonyl]-N-(2,5-difluorophenyl)-4-methylpentanamide

2-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-carbonyl]-N-(2,5-difluorophenyl)-4-methylpentanamide (PubChem CID 168892721) has the molecular formula C25H24F2N4O3 and a molecular weight of 466.49 g/mol. Its IUPAC name is 2-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-carbonyl]-N-(2,5-difluorophenyl)-4-methylpentanamide.

Molecular Properties

Compound Name2-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-carbonyl]-N-(2,5-difluorophenyl)-4-methylpentanamide
PubChem CID168892721
Molecular FormulaC25H24F2N4O3
Molecular Weight466.49 g/mol
Exact Mass466.18
IUPAC Name2-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-carbonyl]-N-(2,5-difluorophenyl)-4-methylpentanamide
SMILESCC(C)CC(C(=O)Nc1cc(F)ccc1F)C(=O)N1C[C@]2(CC1C#N)C(=O)Nc1ccccc12
InChIInChI=1S/C25H24F2N4O3/c1-14(2)9-17(22(32)29-21-10-15(26)7-8-19(21)27)23(33)31-13-25(11-16(31)12-28)18-5-3-4-6-20(18)30-24(25)34/h3-8,10,14,16-17H,9,11,13H2,1-2H3,(H,29,32)(H,30,34)/t16?,17?,25-/m0/s1
InChIKeyHVIFYUVEQXDUPN-SBSMMSGMSA-N
XLogP3.58
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-carbonyl]-N-(2,5-difluorophenyl)-4-methylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-carbonyl]-N-(2,5-difluorophenyl)-4-methylpentanamide?
The IUPAC name of 2-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-carbonyl]-N-(2,5-difluorophenyl)-4-methylpentanamide (CID 168892721) is 2-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-carbonyl]-N-(2,5-difluorophenyl)-4-methylpentanamide.
What is the SMILES notation for 2-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-carbonyl]-N-(2,5-difluorophenyl)-4-methylpentanamide?
The canonical SMILES for 2-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-carbonyl]-N-(2,5-difluorophenyl)-4-methylpentanamide is CC(C)CC(C(=O)Nc1cc(F)ccc1F)C(=O)N1C[C@]2(CC1C#N)C(=O)Nc1ccccc12.
What is the InChIKey of 2-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-carbonyl]-N-(2,5-difluorophenyl)-4-methylpentanamide?
The InChIKey is HVIFYUVEQXDUPN-SBSMMSGMSA-N. The full InChI is InChI=1S/C25H24F2N4O3/c1-14(2)9-17(22(32)29-21-10-15(26)7-8-19(21)27)23(33)31-13-25(11-16(31)12-28)18-5-3-4-6-20(18)30-24(25)34/h3-8,10,14,16-17H,9,11,13H2,1-2H3,(H,29,32)(H,30,34)/t16?,17?,25-/m0/s1.
What are the key properties of 2-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-carbonyl]-N-(2,5-difluorophenyl)-4-methylpentanamide?
2-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-carbonyl]-N-(2,5-difluorophenyl)-4-methylpentanamide has a molecular weight of 466.49 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-carbonyl]-N-(2,5-difluorophenyl)-4-methylpentanamide is sourced from PubChem (CID 168892721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).