2-tert-butyl-4-chloro-5-[[4-(2-fluoropropoxy)phenyl]methoxy]pyridazin-3-one

C18H22ClFN2O3 — CID 24864645

IUPAC2-tert-butyl-4-chloro-5-[[4-(2-fluoropropoxy)phenyl]methoxy]pyridazin-3-one
SMILESCC(F)COc1ccc(COc2cnn(C(C)(C)C)c(=O)c2Cl)cc1
InChIInChI=1S/C18H22ClFN2O3/c1-12(20)10-24-14-7-5-13(6-8-14)11-25-15-9-21-22(18(2,3)4)17(23)16(15)19/h5-9,12H,10-11H2,1-4H3
InChIKeyFOLIPIJUUQURLN-UHFFFAOYSA-N
MW368.84 g/mol
LogP3.97
Rot. Bonds6

About 2-tert-butyl-4-chloro-5-[[4-(2-fluoropropoxy)phenyl]methoxy]pyridazin-3-one

2-tert-butyl-4-chloro-5-[[4-(2-fluoropropoxy)phenyl]methoxy]pyridazin-3-one (PubChem CID 24864645) has the molecular formula C18H22ClFN2O3 and a molecular weight of 368.84 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-5-[[4-(2-fluoropropoxy)phenyl]methoxy]pyridazin-3-one.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-5-[[4-(2-fluoropropoxy)phenyl]methoxy]pyridazin-3-one
PubChem CID24864645
Molecular FormulaC18H22ClFN2O3
Molecular Weight368.84 g/mol
Exact Mass368.13
IUPAC Name2-tert-butyl-4-chloro-5-[[4-(2-fluoropropoxy)phenyl]methoxy]pyridazin-3-one
SMILESCC(F)COc1ccc(COc2cnn(C(C)(C)C)c(=O)c2Cl)cc1
InChIInChI=1S/C18H22ClFN2O3/c1-12(20)10-24-14-7-5-13(6-8-14)11-25-15-9-21-22(18(2,3)4)17(23)16(15)19/h5-9,12H,10-11H2,1-4H3
InChIKeyFOLIPIJUUQURLN-UHFFFAOYSA-N
XLogP3.97
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-tert-butyl-4-chloro-5-[[4-(2-fluoropropoxy)phenyl]methoxy]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

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-5-[[4-(2-fluoropropoxy)phenyl]methoxy]pyridazin-3-one?
The IUPAC name of 2-tert-butyl-4-chloro-5-[[4-(2-fluoropropoxy)phenyl]methoxy]pyridazin-3-one (CID 24864645) is 2-tert-butyl-4-chloro-5-[[4-(2-fluoropropoxy)phenyl]methoxy]pyridazin-3-one.
What is the SMILES notation for 2-tert-butyl-4-chloro-5-[[4-(2-fluoropropoxy)phenyl]methoxy]pyridazin-3-one?
The canonical SMILES for 2-tert-butyl-4-chloro-5-[[4-(2-fluoropropoxy)phenyl]methoxy]pyridazin-3-one is CC(F)COc1ccc(COc2cnn(C(C)(C)C)c(=O)c2Cl)cc1.
What is the InChIKey of 2-tert-butyl-4-chloro-5-[[4-(2-fluoropropoxy)phenyl]methoxy]pyridazin-3-one?
The InChIKey is FOLIPIJUUQURLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClFN2O3/c1-12(20)10-24-14-7-5-13(6-8-14)11-25-15-9-21-22(18(2,3)4)17(23)16(15)19/h5-9,12H,10-11H2,1-4H3.
What are the key properties of 2-tert-butyl-4-chloro-5-[[4-(2-fluoropropoxy)phenyl]methoxy]pyridazin-3-one?
2-tert-butyl-4-chloro-5-[[4-(2-fluoropropoxy)phenyl]methoxy]pyridazin-3-one has a molecular weight of 368.84 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-5-[[4-(2-fluoropropoxy)phenyl]methoxy]pyridazin-3-one is sourced from PubChem (CID 24864645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).