(5E)-1-cyclopentyl-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile

C28H24N4O2 — CID 19112148

IUPAC(5E)-1-cyclopentyl-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile
SMILESCC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C28H24N4O2/c1-19-24(27(33)32(23-14-8-9-15-23)28(34)25(19)17-29)16-21-18-31(22-12-6-3-7-13-22)30-26(21)20-10-4-2-5-11-20/h2-7,10-13,16,18,23H,8-9,14-15H2,1H3/b24-16+
InChIKeyUEXPVXQKHIBLOG-LFVJCYFKSA-N
MW448.53 g/mol
LogP5.07
Rot. Bonds4

About (5E)-1-cyclopentyl-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile

(5E)-1-cyclopentyl-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile (PubChem CID 19112148) has the molecular formula C28H24N4O2 and a molecular weight of 448.53 g/mol. Its IUPAC name is (5E)-1-cyclopentyl-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile.

Molecular Properties

Compound Name(5E)-1-cyclopentyl-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile
PubChem CID19112148
Molecular FormulaC28H24N4O2
Molecular Weight448.53 g/mol
Exact Mass448.19
IUPAC Name(5E)-1-cyclopentyl-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile
SMILESCC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C28H24N4O2/c1-19-24(27(33)32(23-14-8-9-15-23)28(34)25(19)17-29)16-21-18-31(22-12-6-3-7-13-22)30-26(21)20-10-4-2-5-11-20/h2-7,10-13,16,18,23H,8-9,14-15H2,1H3/b24-16+
InChIKeyUEXPVXQKHIBLOG-LFVJCYFKSA-N
XLogP5.07
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.53
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_pyridone_C(11)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (5E)-1-cyclopentyl-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile 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

(5E)-1-cyclohexyl-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile
CID 19112289
(5E)-1-cyclohexyl-5-[[3-(4-ethylsulfanylphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile
CID 19112332
(5E)-1-cyclopentyl-4-methyl-2,6-dioxo-5-[[1-phenyl-3-(4-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]methylidene]pyridine-3-carbonitrile
CID 19112156
(5E)-1-cyclohexyl-4-methyl-2,6-dioxo-5-[[1-phenyl-3-(4-prop-2-enoxyphenyl)pyrazol-4-yl]methylidene]pyridine-3-carbonitrile
CID 19112328
(5E)-1-cyclopentyl-5-[[3-(4-ethoxy-2-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile
CID 19112171
(5E)-5-[[3-(3-chloro-4-propoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1-cyclohexyl-4-methyl-2,6-dioxopyridine-3-carbonitrile
CID 19112344
(5E)-1-cyclopentyl-4-methyl-5-[[3-(2-methyl-4-propoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2,6-dioxopyridine-3-carbonitrile
CID 19112172
(5Z)-1-(1,1-dioxothiolan-3-yl)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-2,6-dioxo-4-phenylpyridine-3-carbonitrile
CID 19131454
1-(1,1-dioxothiolan-3-yl)-5-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile
CID 3717763
(5E)-4-methyl-5-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-1-(2-methylpropyl)-2,6-dioxopyridine-3-carbonitrile
CID 19110524
(5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-1-(1,1-dioxothiolan-3-yl)-2,6-dioxo-4-phenylpyridine-3-carbonitrile
CID 19131467
(5E)-1-[(2-chlorophenyl)methyl]-4-methyl-5-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-2,6-dioxopyridine-3-carbonitrile
CID 19113289

Frequently Asked Questions

What is the IUPAC name of (5E)-1-cyclopentyl-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile?
The IUPAC name of (5E)-1-cyclopentyl-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile (CID 19112148) is (5E)-1-cyclopentyl-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile.
What is the SMILES notation for (5E)-1-cyclopentyl-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile?
The canonical SMILES for (5E)-1-cyclopentyl-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile is CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of (5E)-1-cyclopentyl-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile?
The InChIKey is UEXPVXQKHIBLOG-LFVJCYFKSA-N. The full InChI is InChI=1S/C28H24N4O2/c1-19-24(27(33)32(23-14-8-9-15-23)28(34)25(19)17-29)16-21-18-31(22-12-6-3-7-13-22)30-26(21)20-10-4-2-5-11-20/h2-7,10-13,16,18,23H,8-9,14-15H2,1H3/b24-16+.
What are the key properties of (5E)-1-cyclopentyl-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile?
(5E)-1-cyclopentyl-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile has a molecular weight of 448.53 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-1-cyclopentyl-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile is sourced from PubChem (CID 19112148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).