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

C23H23FN4O — CID 71570632

IUPAC(3S)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-methylspiro[indole-3,3'-pyrrolidine]-2-one
SMILESCN1CC[C@]2(C1)C(=O)N(Cc1ccc(-c3cnn(C)c3)cc1F)c1ccccc12
InChIInChI=1S/C23H23FN4O/c1-26-10-9-23(15-26)19-5-3-4-6-21(19)28(22(23)29)14-17-8-7-16(11-20(17)24)18-12-25-27(2)13-18/h3-8,11-13H,9-10,14-15H2,1-2H3/t23-/m1/s1
InChIKeyXXFHPJXXAUJLMD-HSZRJFAPSA-N
MW390.46 g/mol
LogP3.35
Rot. Bonds3

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

(3S)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-methylspiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 71570632) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is (3S)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-methylspiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(3S)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-methylspiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID71570632
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name(3S)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-methylspiro[indole-3,3'-pyrrolidine]-2-one
SMILESCN1CC[C@]2(C1)C(=O)N(Cc1ccc(-c3cnn(C)c3)cc1F)c1ccccc12
InChIInChI=1S/C23H23FN4O/c1-26-10-9-23(15-26)19-5-3-4-6-21(19)28(22(23)29)14-17-8-7-16(11-20(17)24)18-12-25-27(2)13-18/h3-8,11-13H,9-10,14-15H2,1-2H3/t23-/m1/s1
InChIKeyXXFHPJXXAUJLMD-HSZRJFAPSA-N
XLogP3.35
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-acetyl-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one
CID 71571062
1'-(2,2-difluoroethyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one
CID 71570921
1'-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 71599959
1-[[2-fluoro-4-(1-iodopyrazol-4-yl)phenyl]methyl]-1'-(1-propan-2-ylpiperidin-4-yl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 163893777
1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(1-fluoro-2-phenylethyl)-3-hydroxyindol-2-one
CID 90274758
1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;3-hydroxy-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)indol-2-one;3-hydroxy-1-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)indol-2-one;methane
CID 159558636
1-[[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]methyl]-1'-(oxan-3-yl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 123324330
2-[(3R)-1'-[(2,4-difluorophenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 95719767
4-[[2-fluoro-4-(1-iodopyrazol-4-yl)phenyl]methyl]-1,4-benzoxazin-3-one
CID 147222142
1'-cyclohexyl-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7a-methylspiro[7H-indole-3,3'-pyrrolidine]-2-one
CID 163991768
1'-methyl-1-phosphanylspiro[indole-3,4'-piperidine]-2-one
CID 59352034
3-ethyl-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)-3-propylphenyl]methyl]-3-(methylaminomethyl)indol-2-one
CID 123368041

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (3S)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-methylspiro[indole-3,3'-pyrrolidine]-2-one (CID 71570632) is (3S)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-methylspiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (3S)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (3S)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-methylspiro[indole-3,3'-pyrrolidine]-2-one is CN1CC[C@]2(C1)C(=O)N(Cc1ccc(-c3cnn(C)c3)cc1F)c1ccccc12.
What is the InChIKey of (3S)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is XXFHPJXXAUJLMD-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H23FN4O/c1-26-10-9-23(15-26)19-5-3-4-6-21(19)28(22(23)29)14-17-8-7-16(11-20(17)24)18-12-25-27(2)13-18/h3-8,11-13H,9-10,14-15H2,1-2H3/t23-/m1/s1.
What are the key properties of (3S)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-methylspiro[indole-3,3'-pyrrolidine]-2-one?
(3S)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-methylspiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 390.46 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-methylspiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 71570632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).