1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-methylspiro[indole-3,4'-piperidine]-2-one

C24H25FN4O — CID 71570630

IUPAC1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-methylspiro[indole-3,4'-piperidine]-2-one
SMILESCN1CCC2(CC1)C(=O)N(Cc1ccc(-c3cnn(C)c3)cc1F)c1ccccc12
InChIInChI=1S/C24H25FN4O/c1-27-11-9-24(10-12-27)20-5-3-4-6-22(20)29(23(24)30)16-18-8-7-17(13-21(18)25)19-14-26-28(2)15-19/h3-8,13-15H,9-12,16H2,1-2H3
InChIKeyVLVGCRRQSPTZQY-UHFFFAOYSA-N
MW404.49 g/mol
LogP3.74
Rot. Bonds3

About 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-methylspiro[indole-3,4'-piperidine]-2-one

1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-methylspiro[indole-3,4'-piperidine]-2-one (PubChem CID 71570630) has the molecular formula C24H25FN4O and a molecular weight of 404.49 g/mol. Its IUPAC name is 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-methylspiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-methylspiro[indole-3,4'-piperidine]-2-one
PubChem CID71570630
Molecular FormulaC24H25FN4O
Molecular Weight404.49 g/mol
Exact Mass404.20
IUPAC Name1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-methylspiro[indole-3,4'-piperidine]-2-one
SMILESCN1CCC2(CC1)C(=O)N(Cc1ccc(-c3cnn(C)c3)cc1F)c1ccccc12
InChIInChI=1S/C24H25FN4O/c1-27-11-9-24(10-12-27)20-5-3-4-6-22(20)29(23(24)30)16-18-8-7-17(13-21(18)25)19-14-26-28(2)15-19/h3-8,13-15H,9-12,16H2,1-2H3
InChIKeyVLVGCRRQSPTZQY-UHFFFAOYSA-N
XLogP3.74
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-methylspiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-methylspiro[indole-3,4'-piperidine]-2-one (CID 71570630) is 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-methylspiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-methylspiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-methylspiro[indole-3,4'-piperidine]-2-one is CN1CCC2(CC1)C(=O)N(Cc1ccc(-c3cnn(C)c3)cc1F)c1ccccc12.
What is the InChIKey of 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-methylspiro[indole-3,4'-piperidine]-2-one?
The InChIKey is VLVGCRRQSPTZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O/c1-27-11-9-24(10-12-27)20-5-3-4-6-22(20)29(23(24)30)16-18-8-7-17(13-21(18)25)19-14-26-28(2)15-19/h3-8,13-15H,9-12,16H2,1-2H3.
What are the key properties of 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-methylspiro[indole-3,4'-piperidine]-2-one?
1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-methylspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 404.49 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-methylspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 71570630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).