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

C19H18F2N4O4S — CID 158774912

IUPAC3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-5-pyridin-2-yloxy-2-pyridinyl)pyridazine
SMILESCCS(=O)(=O)c1cc(Oc2ccccn2)cnc1-c1ccc(OCC(C)(F)F)nn1
InChIInChI=1S/C19H18F2N4O4S/c1-3-30(26,27)15-10-13(29-16-6-4-5-9-22-16)11-23-18(15)14-7-8-17(25-24-14)28-12-19(2,20)21/h4-11H,3,12H2,1-2H3
InChIKeyIQIVBKIZGMFNMN-UHFFFAOYSA-N
MW436.44 g/mol
LogP3.55
Rot. Bonds8

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

3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-5-pyridin-2-yloxy-2-pyridinyl)pyridazine (PubChem CID 158774912) has the molecular formula C19H18F2N4O4S and a molecular weight of 436.44 g/mol. Its IUPAC name is 3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-5-pyridin-2-yloxy-2-pyridinyl)pyridazine.

Molecular Properties

Compound Name3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-5-pyridin-2-yloxy-2-pyridinyl)pyridazine
PubChem CID158774912
Molecular FormulaC19H18F2N4O4S
Molecular Weight436.44 g/mol
Exact Mass436.10
IUPAC Name3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-5-pyridin-2-yloxy-2-pyridinyl)pyridazine
SMILESCCS(=O)(=O)c1cc(Oc2ccccn2)cnc1-c1ccc(OCC(C)(F)F)nn1
InChIInChI=1S/C19H18F2N4O4S/c1-3-30(26,27)15-10-13(29-16-6-4-5-9-22-16)11-23-18(15)14-7-8-17(25-24-14)28-12-19(2,20)21/h4-11H,3,12H2,1-2H3
InChIKeyIQIVBKIZGMFNMN-UHFFFAOYSA-N
XLogP3.55
TPSA104.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.44
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-5-pyridin-2-yloxy-2-pyridinyl)pyridazine with MolForge

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Related Compounds

3-(3-ethylsulfonyl-5-pyridin-2-yloxy-2-pyridinyl)-6-(2,2,3,3,3-pentafluoropropoxy)pyridazine
CID 142364361
3-(3-ethylsulfonyl-2-pyridinyl)-6-(2,2,2-trichloroethoxy)pyridazine
CID 129177650
2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-ethylsulfonylpyridine
CID 134166732
ethylimino-[2-(3-ethylsulfonyl-5-pyridin-2-yloxy-2-pyridinyl)-1-methylbenzimidazol-5-yl]-oxo-(trifluoromethyl)-λ6-sulfane
CID 166038805
2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-ethylsulfonyl-5-prop-2-enylpyridine
CID 134166754
3-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-6-methylpyridazine
CID 145380726
[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-phenylpyridazine
CID 138603848
6-chloro-2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-ethylsulfonylpyridine
CID 134166741
6-[5-(2,2-difluoropropoxy)-3-ethylsulfonyl-2-pyridinyl]-1-(1,2,2,3,3-pentafluoropropyl)-3,4-dihydro-1,7-naphthyridin-2-one
CID 175479403
3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-2-pyridinyl)-5-methyl-1H-pyridazin-2-ium 2-oxide
CID 158344234

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-5-pyridin-2-yloxy-2-pyridinyl)pyridazine?
The IUPAC name of 3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-5-pyridin-2-yloxy-2-pyridinyl)pyridazine (CID 158774912) is 3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-5-pyridin-2-yloxy-2-pyridinyl)pyridazine.
What is the SMILES notation for 3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-5-pyridin-2-yloxy-2-pyridinyl)pyridazine?
The canonical SMILES for 3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-5-pyridin-2-yloxy-2-pyridinyl)pyridazine is CCS(=O)(=O)c1cc(Oc2ccccn2)cnc1-c1ccc(OCC(C)(F)F)nn1.
What is the InChIKey of 3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-5-pyridin-2-yloxy-2-pyridinyl)pyridazine?
The InChIKey is IQIVBKIZGMFNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O4S/c1-3-30(26,27)15-10-13(29-16-6-4-5-9-22-16)11-23-18(15)14-7-8-17(25-24-14)28-12-19(2,20)21/h4-11H,3,12H2,1-2H3.
What are the key properties of 3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-5-pyridin-2-yloxy-2-pyridinyl)pyridazine?
3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-5-pyridin-2-yloxy-2-pyridinyl)pyridazine has a molecular weight of 436.44 g/mol, XLogP of 3.55, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-5-pyridin-2-yloxy-2-pyridinyl)pyridazine is sourced from PubChem (CID 158774912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).