4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-(1-hydroxy-2-methylpropan-2-yl)pyridazin-3-one

C18H22ClFN2O4 — CID 90062686

IUPAC4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-(1-hydroxy-2-methylpropan-2-yl)pyridazin-3-one
SMILESCC(C)(CO)n1ncc(OCc2ccc(COCCF)cc2)c(Cl)c1=O
InChIInChI=1S/C18H22ClFN2O4/c1-18(2,12-23)22-17(24)16(19)15(9-21-22)26-11-14-5-3-13(4-6-14)10-25-8-7-20/h3-6,9,23H,7-8,10-12H2,1-2H3
InChIKeyPKRBLCLQUYHCAC-UHFFFAOYSA-N
MW384.84 g/mol
LogP2.69
Rot. Bonds9

About 4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-(1-hydroxy-2-methylpropan-2-yl)pyridazin-3-one

4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-(1-hydroxy-2-methylpropan-2-yl)pyridazin-3-one (PubChem CID 90062686) has the molecular formula C18H22ClFN2O4 and a molecular weight of 384.84 g/mol. Its IUPAC name is 4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-(1-hydroxy-2-methylpropan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-(1-hydroxy-2-methylpropan-2-yl)pyridazin-3-one
PubChem CID90062686
Molecular FormulaC18H22ClFN2O4
Molecular Weight384.84 g/mol
Exact Mass384.13
IUPAC Name4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-(1-hydroxy-2-methylpropan-2-yl)pyridazin-3-one
SMILESCC(C)(CO)n1ncc(OCc2ccc(COCCF)cc2)c(Cl)c1=O
InChIInChI=1S/C18H22ClFN2O4/c1-18(2,12-23)22-17(24)16(19)15(9-21-22)26-11-14-5-3-13(4-6-14)10-25-8-7-20/h3-6,9,23H,7-8,10-12H2,1-2H3
InChIKeyPKRBLCLQUYHCAC-UHFFFAOYSA-N
XLogP2.69
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-(1-hydroxy-2-methylpropan-2-yl)pyridazin-3-one 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

Flurpiridaz F-18
CID 11405965
Flurpiridaz
CID 24864646
5-(Benzyloxy)-2-tert-butyl-4-chloropyridazin-3(2H)-one
CID 13246205
2-Tert-butyl-5-[(4-tert-butylphenyl)methoxy]-4-chloropyridazin-3-one
CID 13246210
2-Tert-butyl-4-chloro-5-[(4-phenylphenyl)methoxy]pyridazin-3-one
CID 13373239
2-Tert-butyl-5-[(4-butylphenyl)methoxy]-4-chloropyridazin-3-one
CID 24864466
2-Tert-butyl-4-chloro-5-[[4-(4-fluorobutyl)phenyl]methoxy]pyridazin-3-one
CID 24864642
2-Tert-butyl-4-chloro-5-[[4-(3-fluorobutyl)phenyl]methoxy]pyridazin-3-one
CID 24864643
2-Tert-butyl-4-chloro-5-[dideuterio-[4-[(1,1,2,2-tetradeuterio-2-fluoroethoxy)methyl]phenyl]methoxy]pyridazin-3-one
CID 24864647
2-tert-Butyl-4-chloro-5-[4-(4-[18F]fluoro-butyl)-benzyloxy]-2H-pyridazin-3-one
CID 11268584
4-bromo-2-(tert-butyl)-5-((4-((2-fluoroethoxy)methyl)benzyl)oxy)pyridazin-3(2H)-one
CID 73293083
2-(tert-butyl)-4-chloro-5-((4-(1-(2-fluoroethoxyl)ethyl)benzyl)oxy)pyridazin-3(2H)-one
CID 73293086

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-(1-hydroxy-2-methylpropan-2-yl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-(1-hydroxy-2-methylpropan-2-yl)pyridazin-3-one (CID 90062686) is 4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-(1-hydroxy-2-methylpropan-2-yl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-(1-hydroxy-2-methylpropan-2-yl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-(1-hydroxy-2-methylpropan-2-yl)pyridazin-3-one is CC(C)(CO)n1ncc(OCc2ccc(COCCF)cc2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-(1-hydroxy-2-methylpropan-2-yl)pyridazin-3-one?
The InChIKey is PKRBLCLQUYHCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClFN2O4/c1-18(2,12-23)22-17(24)16(19)15(9-21-22)26-11-14-5-3-13(4-6-14)10-25-8-7-20/h3-6,9,23H,7-8,10-12H2,1-2H3.
What are the key properties of 4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-(1-hydroxy-2-methylpropan-2-yl)pyridazin-3-one?
4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-(1-hydroxy-2-methylpropan-2-yl)pyridazin-3-one has a molecular weight of 384.84 g/mol, XLogP of 2.69, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-(1-hydroxy-2-methylpropan-2-yl)pyridazin-3-one is sourced from PubChem (CID 90062686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).