3-(3-ethylsulfonyl-5-pyridin-2-yloxy-2-pyridinyl)-6-(2,2,3,3,3-pentafluoropropoxy)pyridazine

C19H15F5N4O4S — CID 142364361

IUPAC3-(3-ethylsulfonyl-5-pyridin-2-yloxy-2-pyridinyl)-6-(2,2,3,3,3-pentafluoropropoxy)pyridazine
SMILESCCS(=O)(=O)c1cc(Oc2ccccn2)cnc1-c1ccc(OCC(F)(F)C(F)(F)F)nn1
InChIInChI=1S/C19H15F5N4O4S/c1-2-33(29,30)14-9-12(32-15-5-3-4-8-25-15)10-26-17(14)13-6-7-16(28-27-13)31-11-18(20,21)19(22,23)24/h3-10H,2,11H2,1H3
InChIKeyFHTNSKQTJRUEOT-UHFFFAOYSA-N
MW490.41 g/mol
LogP4.10
Rot. Bonds8

About 3-(3-ethylsulfonyl-5-pyridin-2-yloxy-2-pyridinyl)-6-(2,2,3,3,3-pentafluoropropoxy)pyridazine

3-(3-ethylsulfonyl-5-pyridin-2-yloxy-2-pyridinyl)-6-(2,2,3,3,3-pentafluoropropoxy)pyridazine (PubChem CID 142364361) has the molecular formula C19H15F5N4O4S and a molecular weight of 490.41 g/mol. Its IUPAC name is 3-(3-ethylsulfonyl-5-pyridin-2-yloxy-2-pyridinyl)-6-(2,2,3,3,3-pentafluoropropoxy)pyridazine.

Molecular Properties

Compound Name3-(3-ethylsulfonyl-5-pyridin-2-yloxy-2-pyridinyl)-6-(2,2,3,3,3-pentafluoropropoxy)pyridazine
PubChem CID142364361
Molecular FormulaC19H15F5N4O4S
Molecular Weight490.41 g/mol
Exact Mass490.07
IUPAC Name3-(3-ethylsulfonyl-5-pyridin-2-yloxy-2-pyridinyl)-6-(2,2,3,3,3-pentafluoropropoxy)pyridazine
SMILESCCS(=O)(=O)c1cc(Oc2ccccn2)cnc1-c1ccc(OCC(F)(F)C(F)(F)F)nn1
InChIInChI=1S/C19H15F5N4O4S/c1-2-33(29,30)14-9-12(32-15-5-3-4-8-25-15)10-26-17(14)13-6-7-16(28-27-13)31-11-18(20,21)19(22,23)24/h3-10H,2,11H2,1H3
InChIKeyFHTNSKQTJRUEOT-UHFFFAOYSA-N
XLogP4.10
TPSA104.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.41
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-(3-ethylsulfonyl-5-pyridin-2-yloxy-2-pyridinyl)-6-(2,2,3,3,3-pentafluoropropoxy)pyridazine 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

3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-5-pyridin-2-yloxy-2-pyridinyl)pyridazine
CID 158774912
[1-[4-[5-ethylsulfonyl-6-[6-(2,2,3,3,3-pentafluoropropoxy)pyridazin-3-yl]-3-pyridinyl]phenyl]cyclopropyl]methanamine
CID 168854011
1-[4-[5-ethylsulfonyl-6-[6-(2,2,3,3,3-pentafluoropropoxy)pyridazin-3-yl]-3-pyridinyl]phenyl]-N-methylcyclopropane-1-carbonitrilium
CID 170051470
3-(3-ethylsulfonyl-2-pyridinyl)-6-(2,2,2-trichloroethoxy)pyridazine
CID 129177650
ethylimino-[2-(3-ethylsulfonyl-5-pyridin-2-yloxy-2-pyridinyl)-1-methylbenzimidazol-5-yl]-oxo-(trifluoromethyl)-λ6-sulfane
CID 166038805
2-chloro-5-ethylsulfonyl-6-[5-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]-3-(trifluoromethyl)pyridine
CID 122467220
3-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-6-methylpyridazine
CID 145380726
2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-ethylsulfonylpyridine
CID 134166732
3-(3-ethylsulfonyl-2-pyridinyl)-1-oxido-6-(2,2,3,3,3-pentafluoropropoxy)pyridazin-1-ium
CID 129177644
CID 163909256
CID 163909256
2-ethylsulfonyl-3-[6-(2,2,3,3,3-pentafluoropropoxy)pyridazin-3-yl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 177236202
3-(3-ethylsulfonyl-2-pyridinyl)-6-phenylpyridazine
CID 138603848

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylsulfonyl-5-pyridin-2-yloxy-2-pyridinyl)-6-(2,2,3,3,3-pentafluoropropoxy)pyridazine?
The IUPAC name of 3-(3-ethylsulfonyl-5-pyridin-2-yloxy-2-pyridinyl)-6-(2,2,3,3,3-pentafluoropropoxy)pyridazine (CID 142364361) is 3-(3-ethylsulfonyl-5-pyridin-2-yloxy-2-pyridinyl)-6-(2,2,3,3,3-pentafluoropropoxy)pyridazine.
What is the SMILES notation for 3-(3-ethylsulfonyl-5-pyridin-2-yloxy-2-pyridinyl)-6-(2,2,3,3,3-pentafluoropropoxy)pyridazine?
The canonical SMILES for 3-(3-ethylsulfonyl-5-pyridin-2-yloxy-2-pyridinyl)-6-(2,2,3,3,3-pentafluoropropoxy)pyridazine is CCS(=O)(=O)c1cc(Oc2ccccn2)cnc1-c1ccc(OCC(F)(F)C(F)(F)F)nn1.
What is the InChIKey of 3-(3-ethylsulfonyl-5-pyridin-2-yloxy-2-pyridinyl)-6-(2,2,3,3,3-pentafluoropropoxy)pyridazine?
The InChIKey is FHTNSKQTJRUEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F5N4O4S/c1-2-33(29,30)14-9-12(32-15-5-3-4-8-25-15)10-26-17(14)13-6-7-16(28-27-13)31-11-18(20,21)19(22,23)24/h3-10H,2,11H2,1H3.
What are the key properties of 3-(3-ethylsulfonyl-5-pyridin-2-yloxy-2-pyridinyl)-6-(2,2,3,3,3-pentafluoropropoxy)pyridazine?
3-(3-ethylsulfonyl-5-pyridin-2-yloxy-2-pyridinyl)-6-(2,2,3,3,3-pentafluoropropoxy)pyridazine has a molecular weight of 490.41 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylsulfonyl-5-pyridin-2-yloxy-2-pyridinyl)-6-(2,2,3,3,3-pentafluoropropoxy)pyridazine is sourced from PubChem (CID 142364361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).