4-[(1-methyl-2-phenylindol-3-yl)methylidene]-1-phenylpyrazolidine-3,5-dione

C25H19N3O2 — CID 4668426

IUPAC4-[(1-methyl-2-phenylindol-3-yl)methylidene]-1-phenylpyrazolidine-3,5-dione
SMILESCn1c(-c2ccccc2)c(C=C2C(=O)NN(c3ccccc3)C2=O)c2ccccc21
InChIInChI=1S/C25H19N3O2/c1-27-22-15-9-8-14-19(22)20(23(27)17-10-4-2-5-11-17)16-21-24(29)26-28(25(21)30)18-12-6-3-7-13-18/h2-16H,1H3,(H,26,29)
InChIKeyZDMLCLKYFSVPGK-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.31
Rot. Bonds3

About 4-[(1-methyl-2-phenylindol-3-yl)methylidene]-1-phenylpyrazolidine-3,5-dione

4-[(1-methyl-2-phenylindol-3-yl)methylidene]-1-phenylpyrazolidine-3,5-dione (PubChem CID 4668426) has the molecular formula C25H19N3O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 4-[(1-methyl-2-phenylindol-3-yl)methylidene]-1-phenylpyrazolidine-3,5-dione.

Molecular Properties

Compound Name4-[(1-methyl-2-phenylindol-3-yl)methylidene]-1-phenylpyrazolidine-3,5-dione
PubChem CID4668426
Molecular FormulaC25H19N3O2
Molecular Weight393.45 g/mol
Exact Mass393.15
IUPAC Name4-[(1-methyl-2-phenylindol-3-yl)methylidene]-1-phenylpyrazolidine-3,5-dione
SMILESCn1c(-c2ccccc2)c(C=C2C(=O)NN(c3ccccc3)C2=O)c2ccccc21
InChIInChI=1S/C25H19N3O2/c1-27-22-15-9-8-14-19(22)20(23(27)17-10-4-2-5-11-17)16-21-24(29)26-28(25(21)30)18-12-6-3-7-13-18/h2-16H,1H3,(H,26,29)
InChIKeyZDMLCLKYFSVPGK-UHFFFAOYSA-N
XLogP4.31
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_D(46)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

2-[3-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methylindol-1-yl]propanoic acid
CID 3919964
4-[[2-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]methylidene]-1-phenylpyrazolidine-3,5-dione
CID 4018796
4-[(4-methylsulfanylphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
CID 4022647
(4E)-4-[(2-hydroxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
CID 2251098
(4Z)-4-[[2-[(2R)-butan-2-yl]oxynaphthalen-1-yl]methylidene]-1-phenylpyrazolidine-3,5-dione
CID 124551057
4-[(2-chloro-6-fluorophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
CID 74696440
(4Z)-1-phenyl-4-[(2-phenylmethoxynaphthalen-1-yl)methylidene]pyrazolidine-3,5-dione
CID 126403066
1-(4-fluorophenyl)-4-[(5-phenylfuran-2-yl)methylidene]pyrazolidine-3,5-dione
CID 880464
(4Z)-4-[(2-bromophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
CID 6146053
(4Z)-4-[(2-methoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
CID 689331
(4Z)-1-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]pyrazolidine-3,5-dione
CID 1207373
(E)-2-methyl-3-(1-methyl-2-phenylindol-3-yl)prop-2-enoic acid
CID 170873291

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyl-2-phenylindol-3-yl)methylidene]-1-phenylpyrazolidine-3,5-dione?
The IUPAC name of 4-[(1-methyl-2-phenylindol-3-yl)methylidene]-1-phenylpyrazolidine-3,5-dione (CID 4668426) is 4-[(1-methyl-2-phenylindol-3-yl)methylidene]-1-phenylpyrazolidine-3,5-dione.
What is the SMILES notation for 4-[(1-methyl-2-phenylindol-3-yl)methylidene]-1-phenylpyrazolidine-3,5-dione?
The canonical SMILES for 4-[(1-methyl-2-phenylindol-3-yl)methylidene]-1-phenylpyrazolidine-3,5-dione is Cn1c(-c2ccccc2)c(C=C2C(=O)NN(c3ccccc3)C2=O)c2ccccc21.
What is the InChIKey of 4-[(1-methyl-2-phenylindol-3-yl)methylidene]-1-phenylpyrazolidine-3,5-dione?
The InChIKey is ZDMLCLKYFSVPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2/c1-27-22-15-9-8-14-19(22)20(23(27)17-10-4-2-5-11-17)16-21-24(29)26-28(25(21)30)18-12-6-3-7-13-18/h2-16H,1H3,(H,26,29).
What are the key properties of 4-[(1-methyl-2-phenylindol-3-yl)methylidene]-1-phenylpyrazolidine-3,5-dione?
4-[(1-methyl-2-phenylindol-3-yl)methylidene]-1-phenylpyrazolidine-3,5-dione has a molecular weight of 393.45 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyl-2-phenylindol-3-yl)methylidene]-1-phenylpyrazolidine-3,5-dione is sourced from PubChem (CID 4668426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).