1'-ethyl-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one

C24H25FN4O — CID 71570919

IUPAC1'-ethyl-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCCN1CCC2(C1)C(=O)N(Cc1ccc(-c3cnn(C)c3)cc1F)c1ccccc12
InChIInChI=1S/C24H25FN4O/c1-3-28-11-10-24(16-28)20-6-4-5-7-22(20)29(23(24)30)15-18-9-8-17(12-21(18)25)19-13-26-27(2)14-19/h4-9,12-14H,3,10-11,15-16H2,1-2H3
InChIKeyUOMNMGVDCUVYQY-UHFFFAOYSA-N
MW404.49 g/mol
LogP3.74
Rot. Bonds4

About 1'-ethyl-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one

1'-ethyl-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 71570919) has the molecular formula C24H25FN4O and a molecular weight of 404.49 g/mol. Its IUPAC name is 1'-ethyl-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-ethyl-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID71570919
Molecular FormulaC24H25FN4O
Molecular Weight404.49 g/mol
Exact Mass404.20
IUPAC Name1'-ethyl-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCCN1CCC2(C1)C(=O)N(Cc1ccc(-c3cnn(C)c3)cc1F)c1ccccc12
InChIInChI=1S/C24H25FN4O/c1-3-28-11-10-24(16-28)20-6-4-5-7-22(20)29(23(24)30)15-18-9-8-17(12-21(18)25)19-13-26-27(2)14-19/h4-9,12-14H,3,10-11,15-16H2,1-2H3
InChIKeyUOMNMGVDCUVYQY-UHFFFAOYSA-N
XLogP3.74
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-ethyl-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-ethyl-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one (CID 71570919) is 1'-ethyl-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-ethyl-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-ethyl-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one is CCN1CCC2(C1)C(=O)N(Cc1ccc(-c3cnn(C)c3)cc1F)c1ccccc12.
What is the InChIKey of 1'-ethyl-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is UOMNMGVDCUVYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O/c1-3-28-11-10-24(16-28)20-6-4-5-7-22(20)29(23(24)30)15-18-9-8-17(12-21(18)25)19-13-26-27(2)14-19/h4-9,12-14H,3,10-11,15-16H2,1-2H3.
What are the key properties of 1'-ethyl-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one?
1'-ethyl-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 404.49 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethyl-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 71570919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).