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

C25H18ClN3O2 — CID 1190981

IUPAC4-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-1-phenylpyrazolidine-3,5-dione
SMILESO=C1NN(c2ccccc2)C(=O)C1=Cc1cn(Cc2ccccc2Cl)c2ccccc12
InChIInChI=1S/C25H18ClN3O2/c26-22-12-6-4-8-17(22)15-28-16-18(20-11-5-7-13-23(20)28)14-21-24(30)27-29(25(21)31)19-9-2-1-3-10-19/h1-14,16H,15H2,(H,27,30)
InChIKeySOTAPEXVWFGDQZ-UHFFFAOYSA-N
MW427.89 g/mol
LogP4.80
Rot. Bonds4

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

4-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-1-phenylpyrazolidine-3,5-dione (PubChem CID 1190981) has the molecular formula C25H18ClN3O2 and a molecular weight of 427.89 g/mol. Its IUPAC name is 4-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-1-phenylpyrazolidine-3,5-dione.

Molecular Properties

Compound Name4-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-1-phenylpyrazolidine-3,5-dione
PubChem CID1190981
Molecular FormulaC25H18ClN3O2
Molecular Weight427.89 g/mol
Exact Mass427.11
IUPAC Name4-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-1-phenylpyrazolidine-3,5-dione
SMILESO=C1NN(c2ccccc2)C(=O)C1=Cc1cn(Cc2ccccc2Cl)c2ccccc12
InChIInChI=1S/C25H18ClN3O2/c26-22-12-6-4-8-17(22)15-28-16-18(20-11-5-7-13-23(20)28)14-21-24(30)27-29(25(21)31)19-9-2-1-3-10-19/h1-14,16H,15H2,(H,27,30)
InChIKeySOTAPEXVWFGDQZ-UHFFFAOYSA-N
XLogP4.80
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.89
LogP ≤ 54.80
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'}

Analyze 4-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-1-phenylpyrazolidine-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-4-methylphenyl)-4-[(1-ethylindol-3-yl)methylidene]pyrazolidine-3,5-dione
CID 71835116
(4Z)-1-(3-chloro-4-methylphenyl)-4-[(1-ethylindol-3-yl)methylidene]pyrazolidine-3,5-dione
CID 40526891
propan-2-yl 2-[3-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]indol-1-yl]acetate
CID 92517108
(4Z)-4-[[1-(2-methyl-3-phenoxypropyl)indol-3-yl]methylidene]-1-phenylpyrazolidine-3,5-dione;hydrochloride
CID 163325901
2-[3-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]indol-1-yl]-N-(2-fluorophenyl)acetamide
CID 5000096
4-[[1-[2-(3-methylphenoxy)ethyl]indol-3-yl]methylidene]-1-phenylpyrazolidine-3,5-dione
CID 1214195
1-benzyl-5-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 4561290
(5E)-5-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 44713929
5-[(1-benzylindol-3-yl)methylidene]-1-(2-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3535087
(4Z)-4-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-5-methyl-2-(2,3,4,5,6-pentafluorophenyl)pyrazol-3-one
CID 126037153
(5Z)-5-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 96882328
5-[(1-benzylindol-3-yl)methylidene]-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione
CID 3819248

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-1-phenylpyrazolidine-3,5-dione?
The IUPAC name of 4-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-1-phenylpyrazolidine-3,5-dione (CID 1190981) is 4-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-1-phenylpyrazolidine-3,5-dione.
What is the SMILES notation for 4-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-1-phenylpyrazolidine-3,5-dione?
The canonical SMILES for 4-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-1-phenylpyrazolidine-3,5-dione is O=C1NN(c2ccccc2)C(=O)C1=Cc1cn(Cc2ccccc2Cl)c2ccccc12.
What is the InChIKey of 4-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-1-phenylpyrazolidine-3,5-dione?
The InChIKey is SOTAPEXVWFGDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClN3O2/c26-22-12-6-4-8-17(22)15-28-16-18(20-11-5-7-13-23(20)28)14-21-24(30)27-29(25(21)31)19-9-2-1-3-10-19/h1-14,16H,15H2,(H,27,30).
What are the key properties of 4-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-1-phenylpyrazolidine-3,5-dione?
4-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-1-phenylpyrazolidine-3,5-dione has a molecular weight of 427.89 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-1-phenylpyrazolidine-3,5-dione is sourced from PubChem (CID 1190981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).