(2Z)-3-fluoro-N-(4-phenyl-3-pyridinyl)-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]imino]propylidene]hex-4-enamide

C26H22F4N4O — CID 123621753

IUPAC(2Z)-3-fluoro-N-(4-phenyl-3-pyridinyl)-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]imino]propylidene]hex-4-enamide
SMILESCC=CC(F)/C(=C\C(C)=N\c1ccc(C(F)(F)F)cn1)C(=O)Nc1cnccc1-c1ccccc1
InChIInChI=1S/C26H22F4N4O/c1-3-7-22(27)21(14-17(2)33-24-11-10-19(15-32-24)26(28,29)30)25(35)34-23-16-31-13-12-20(23)18-8-5-4-6-9-18/h3-16,22H,1-2H3,(H,34,35)/b7-3?,21-14+,33-17+
InChIKeyZPTBQOOHEKCEGO-FYTZRIPXSA-N
MW482.48 g/mol
LogP6.73
Rot. Bonds7

About (2Z)-3-fluoro-N-(4-phenyl-3-pyridinyl)-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]imino]propylidene]hex-4-enamide

(2Z)-3-fluoro-N-(4-phenyl-3-pyridinyl)-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]imino]propylidene]hex-4-enamide (PubChem CID 123621753) has the molecular formula C26H22F4N4O and a molecular weight of 482.48 g/mol. Its IUPAC name is (2Z)-3-fluoro-N-(4-phenyl-3-pyridinyl)-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]imino]propylidene]hex-4-enamide.

Molecular Properties

Compound Name(2Z)-3-fluoro-N-(4-phenyl-3-pyridinyl)-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]imino]propylidene]hex-4-enamide
PubChem CID123621753
Molecular FormulaC26H22F4N4O
Molecular Weight482.48 g/mol
Exact Mass482.17
IUPAC Name(2Z)-3-fluoro-N-(4-phenyl-3-pyridinyl)-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]imino]propylidene]hex-4-enamide
SMILESCC=CC(F)/C(=C\C(C)=N\c1ccc(C(F)(F)F)cn1)C(=O)Nc1cnccc1-c1ccccc1
InChIInChI=1S/C26H22F4N4O/c1-3-7-22(27)21(14-17(2)33-24-11-10-19(15-32-24)26(28,29)30)25(35)34-23-16-31-13-12-20(23)18-8-5-4-6-9-18/h3-16,22H,1-2H3,(H,34,35)/b7-3?,21-14+,33-17+
InChIKeyZPTBQOOHEKCEGO-FYTZRIPXSA-N
XLogP6.73
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.48
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2Z)-3-fluoro-N-(4-phenyl-3-pyridinyl)-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]imino]propylidene]hex-4-enamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-fluoro-N-(4-phenyl-3-pyridinyl)-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]imino]propylidene]hex-4-enamide?
The IUPAC name of (2Z)-3-fluoro-N-(4-phenyl-3-pyridinyl)-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]imino]propylidene]hex-4-enamide (CID 123621753) is (2Z)-3-fluoro-N-(4-phenyl-3-pyridinyl)-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]imino]propylidene]hex-4-enamide.
What is the SMILES notation for (2Z)-3-fluoro-N-(4-phenyl-3-pyridinyl)-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]imino]propylidene]hex-4-enamide?
The canonical SMILES for (2Z)-3-fluoro-N-(4-phenyl-3-pyridinyl)-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]imino]propylidene]hex-4-enamide is CC=CC(F)/C(=C\C(C)=N\c1ccc(C(F)(F)F)cn1)C(=O)Nc1cnccc1-c1ccccc1.
What is the InChIKey of (2Z)-3-fluoro-N-(4-phenyl-3-pyridinyl)-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]imino]propylidene]hex-4-enamide?
The InChIKey is ZPTBQOOHEKCEGO-FYTZRIPXSA-N. The full InChI is InChI=1S/C26H22F4N4O/c1-3-7-22(27)21(14-17(2)33-24-11-10-19(15-32-24)26(28,29)30)25(35)34-23-16-31-13-12-20(23)18-8-5-4-6-9-18/h3-16,22H,1-2H3,(H,34,35)/b7-3?,21-14+,33-17+.
What are the key properties of (2Z)-3-fluoro-N-(4-phenyl-3-pyridinyl)-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]imino]propylidene]hex-4-enamide?
(2Z)-3-fluoro-N-(4-phenyl-3-pyridinyl)-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]imino]propylidene]hex-4-enamide has a molecular weight of 482.48 g/mol, XLogP of 6.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-fluoro-N-(4-phenyl-3-pyridinyl)-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]imino]propylidene]hex-4-enamide is sourced from PubChem (CID 123621753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).