2-[[5-fluoro-4-[[5-(trifluoromethyl)-1,2-dihydropyridazin-3-yl]methoxy]-2-pyridinyl]methyl]isoindole-1,3-dione

C20H14F4N4O3 — CID 163894035

IUPAC2-[[5-fluoro-4-[[5-(trifluoromethyl)-1,2-dihydropyridazin-3-yl]methoxy]-2-pyridinyl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1cc(OCC2=CC(C(F)(F)F)=CNN2)c(F)cn1
InChIInChI=1S/C20H14F4N4O3/c21-16-8-25-12(9-28-18(29)14-3-1-2-4-15(14)19(28)30)6-17(16)31-10-13-5-11(7-26-27-13)20(22,23)24/h1-8,26-27H,9-10H2
InChIKeyQEAWFZMFDLOGLV-UHFFFAOYSA-N
MW434.35 g/mol
LogP2.83
Rot. Bonds5

About 2-[[5-fluoro-4-[[5-(trifluoromethyl)-1,2-dihydropyridazin-3-yl]methoxy]-2-pyridinyl]methyl]isoindole-1,3-dione

2-[[5-fluoro-4-[[5-(trifluoromethyl)-1,2-dihydropyridazin-3-yl]methoxy]-2-pyridinyl]methyl]isoindole-1,3-dione (PubChem CID 163894035) has the molecular formula C20H14F4N4O3 and a molecular weight of 434.35 g/mol. Its IUPAC name is 2-[[5-fluoro-4-[[5-(trifluoromethyl)-1,2-dihydropyridazin-3-yl]methoxy]-2-pyridinyl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[5-fluoro-4-[[5-(trifluoromethyl)-1,2-dihydropyridazin-3-yl]methoxy]-2-pyridinyl]methyl]isoindole-1,3-dione
PubChem CID163894035
Molecular FormulaC20H14F4N4O3
Molecular Weight434.35 g/mol
Exact Mass434.10
IUPAC Name2-[[5-fluoro-4-[[5-(trifluoromethyl)-1,2-dihydropyridazin-3-yl]methoxy]-2-pyridinyl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1cc(OCC2=CC(C(F)(F)F)=CNN2)c(F)cn1
InChIInChI=1S/C20H14F4N4O3/c21-16-8-25-12(9-28-18(29)14-3-1-2-4-15(14)19(28)30)6-17(16)31-10-13-5-11(7-26-27-13)20(22,23)24/h1-8,26-27H,9-10H2
InChIKeyQEAWFZMFDLOGLV-UHFFFAOYSA-N
XLogP2.83
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.35
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[[5-fluoro-4-[[5-(trifluoromethyl)-1,2-dihydropyridazin-3-yl]methoxy]-2-pyridinyl]methyl]isoindole-1,3-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

[2-[(1,3-dioxoisoindol-2-yl)methyl]-5-fluoro-4-pyridinyl]oxyboronic acid
CID 153410469
2-[[6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]methyl]isoindole-1,3-dione
CID 122456085
2-[(5-chloropyrazin-2-yl)methyl]isoindole-1,3-dione
CID 103054453
2-[[5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]isoindole-1,3-dione;ethane
CID 144826339
2-[(5-ethoxy-2-pyridinyl)methyl]isoindole-1,3-dione
CID 71859722
2-[(1,3-dioxoisoindol-2-yl)methyl]pyridine-4-carboxylic acid
CID 114324415
2-[(2,3,5,6-tetrafluorophenyl)methyl]isoindole-1,3-dione
CID 126720986
2-[(3,4,5-trihydroxyphenyl)methyl]isoindole-1,3-dione
CID 91971420
2-[[2-(trifluoromethyl)-3-pyridinyl]methyl]isoindole-1,3-dione
CID 171372642
2-[[2-methoxy-6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]methyl]isoindole-1,3-dione;2-[[2-oxo-4-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrimidin-6-yl]methyl]isoindole-1,3-dione
CID 159742650
2-[(4-fluorophenyl)methyl]isoindole-1,3-dione
CID 2774444
2-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]isoindole-1,3-dione
CID 44668958

Frequently Asked Questions

What is the IUPAC name of 2-[[5-fluoro-4-[[5-(trifluoromethyl)-1,2-dihydropyridazin-3-yl]methoxy]-2-pyridinyl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[5-fluoro-4-[[5-(trifluoromethyl)-1,2-dihydropyridazin-3-yl]methoxy]-2-pyridinyl]methyl]isoindole-1,3-dione (CID 163894035) is 2-[[5-fluoro-4-[[5-(trifluoromethyl)-1,2-dihydropyridazin-3-yl]methoxy]-2-pyridinyl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[5-fluoro-4-[[5-(trifluoromethyl)-1,2-dihydropyridazin-3-yl]methoxy]-2-pyridinyl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[5-fluoro-4-[[5-(trifluoromethyl)-1,2-dihydropyridazin-3-yl]methoxy]-2-pyridinyl]methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1cc(OCC2=CC(C(F)(F)F)=CNN2)c(F)cn1.
What is the InChIKey of 2-[[5-fluoro-4-[[5-(trifluoromethyl)-1,2-dihydropyridazin-3-yl]methoxy]-2-pyridinyl]methyl]isoindole-1,3-dione?
The InChIKey is QEAWFZMFDLOGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4N4O3/c21-16-8-25-12(9-28-18(29)14-3-1-2-4-15(14)19(28)30)6-17(16)31-10-13-5-11(7-26-27-13)20(22,23)24/h1-8,26-27H,9-10H2.
What are the key properties of 2-[[5-fluoro-4-[[5-(trifluoromethyl)-1,2-dihydropyridazin-3-yl]methoxy]-2-pyridinyl]methyl]isoindole-1,3-dione?
2-[[5-fluoro-4-[[5-(trifluoromethyl)-1,2-dihydropyridazin-3-yl]methoxy]-2-pyridinyl]methyl]isoindole-1,3-dione has a molecular weight of 434.35 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-fluoro-4-[[5-(trifluoromethyl)-1,2-dihydropyridazin-3-yl]methoxy]-2-pyridinyl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 163894035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).