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

C28H25FN4O — CID 71571208

IUPAC1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-phenylspiro[indole-3,3'-pyrrolidine]-2-one
SMILESCn1cc(-c2ccc(CN3C(=O)C4(CCN(c5ccccc5)C4)c4ccccc43)c(F)c2)cn1
InChIInChI=1S/C28H25FN4O/c1-31-17-22(16-30-31)20-11-12-21(25(29)15-20)18-33-26-10-6-5-9-24(26)28(27(33)34)13-14-32(19-28)23-7-3-2-4-8-23/h2-12,15-17H,13-14,18-19H2,1H3
InChIKeyOVEKIOWMYPPTMF-UHFFFAOYSA-N
MW452.53 g/mol
LogP4.92
Rot. Bonds4

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

1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-phenylspiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 71571208) has the molecular formula C28H25FN4O and a molecular weight of 452.53 g/mol. Its IUPAC name is 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-phenylspiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-phenylspiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID71571208
Molecular FormulaC28H25FN4O
Molecular Weight452.53 g/mol
Exact Mass452.20
IUPAC Name1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-phenylspiro[indole-3,3'-pyrrolidine]-2-one
SMILESCn1cc(-c2ccc(CN3C(=O)C4(CCN(c5ccccc5)C4)c4ccccc43)c(F)c2)cn1
InChIInChI=1S/C28H25FN4O/c1-31-17-22(16-30-31)20-11-12-21(25(29)15-20)18-33-26-10-6-5-9-24(26)28(27(33)34)13-14-32(19-28)23-7-3-2-4-8-23/h2-12,15-17H,13-14,18-19H2,1H3
InChIKeyOVEKIOWMYPPTMF-UHFFFAOYSA-N
XLogP4.92
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 44251554
CID 44251554
CID 44251556
CID 44251556
CID 44251555
CID 44251555
CID 155537652
CID 155537652
CID 71533547
CID 71533547
CID 71540044
CID 71540044
CID 71540385
CID 71540385
CID 71568899
CID 71568899
CID 71568900
CID 71568900
CID 71569052
CID 71569052
CID 71570627
CID 71570627
CID 71570630
CID 71570630

Frequently Asked Questions

What is the IUPAC name of 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-phenylspiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-phenylspiro[indole-3,3'-pyrrolidine]-2-one (CID 71571208) is 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-phenylspiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-phenylspiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-phenylspiro[indole-3,3'-pyrrolidine]-2-one is Cn1cc(-c2ccc(CN3C(=O)C4(CCN(c5ccccc5)C4)c4ccccc43)c(F)c2)cn1.
What is the InChIKey of 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-phenylspiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is OVEKIOWMYPPTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN4O/c1-31-17-22(16-30-31)20-11-12-21(25(29)15-20)18-33-26-10-6-5-9-24(26)28(27(33)34)13-14-32(19-28)23-7-3-2-4-8-23/h2-12,15-17H,13-14,18-19H2,1H3.
What are the key properties of 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-phenylspiro[indole-3,3'-pyrrolidine]-2-one?
1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-phenylspiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 452.53 g/mol, XLogP of 4.92, 4 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'-phenylspiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 71571208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).