3-(4-fluoro-2-methoxyphenoxy)-N-(2-methylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)pyridazine-4-carboxamide

C19H14F4N4O5S — CID 167198466

IUPAC3-(4-fluoro-2-methoxyphenoxy)-N-(2-methylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
SMILESCOc1cc(F)ccc1Oc1nnc(C(F)(F)F)cc1C(=O)Nc1ccnc(S(C)(=O)=O)c1
InChIInChI=1S/C19H14F4N4O5S/c1-31-14-7-10(20)3-4-13(14)32-18-12(9-15(26-27-18)19(21,22)23)17(28)25-11-5-6-24-16(8-11)33(2,29)30/h3-9H,1-2H3,(H,24,25,28)
InChIKeyGNXGKDIXOGQGMO-UHFFFAOYSA-N
MW486.40 g/mol
LogP3.49
Rot. Bonds6

About 3-(4-fluoro-2-methoxyphenoxy)-N-(2-methylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)pyridazine-4-carboxamide

3-(4-fluoro-2-methoxyphenoxy)-N-(2-methylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)pyridazine-4-carboxamide (PubChem CID 167198466) has the molecular formula C19H14F4N4O5S and a molecular weight of 486.40 g/mol. Its IUPAC name is 3-(4-fluoro-2-methoxyphenoxy)-N-(2-methylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)pyridazine-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluoro-2-methoxyphenoxy)-N-(2-methylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
PubChem CID167198466
Molecular FormulaC19H14F4N4O5S
Molecular Weight486.40 g/mol
Exact Mass486.06
IUPAC Name3-(4-fluoro-2-methoxyphenoxy)-N-(2-methylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
SMILESCOc1cc(F)ccc1Oc1nnc(C(F)(F)F)cc1C(=O)Nc1ccnc(S(C)(=O)=O)c1
InChIInChI=1S/C19H14F4N4O5S/c1-31-14-7-10(20)3-4-13(14)32-18-12(9-15(26-27-18)19(21,22)23)17(28)25-11-5-6-24-16(8-11)33(2,29)30/h3-9H,1-2H3,(H,24,25,28)
InChIKeyGNXGKDIXOGQGMO-UHFFFAOYSA-N
XLogP3.49
TPSA120.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(4-fluoro-2-methoxyphenoxy)-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167197861
3-(4-fluoro-2-methoxyphenoxy)-N-(3-methylsulfanylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167197863
methyl 3-(4-fluoro-2-methoxyphenoxy)-6-(trifluoromethyl)pyridazine-4-carboxylate
CID 167198498
3-(4-fluoro-2-methoxyphenoxy)-6-(trifluoromethyl)-N-(1,1,3-trioxo-1,2-benzothiazol-6-yl)pyridazine-4-carboxamide
CID 167199275
3-(4-fluoro-2-methylphenoxy)-N-[4-methyl-3-(methylsulfonimidoyl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167198299
3-(4-fluoro-2-hydroxyphenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167198832
N-[3-(N,S-dimethylsulfonimidoyl)phenyl]-3-(4-fluoro-2-methylphenoxy)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 170650029
3-(2-chloro-4-fluorophenoxy)-N-(3-ethylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 170556611
3-(4-cyano-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167199380
3-(4-fluoro-2-methylphenoxy)-N-(1-oxidopyridin-1-ium-3-yl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167199270
3-(4-fluoro-2-methylphenoxy)-N-[3-(1H-pyrazol-5-yl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167199266
2-(4-bromo-2-methoxyphenoxy)-5-chloro-N-[2-(methylsulfonimidoyl)-4-pyridinyl]-4-(trifluoromethyl)benzamide
CID 171071907

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-methoxyphenoxy)-N-(2-methylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)pyridazine-4-carboxamide?
The IUPAC name of 3-(4-fluoro-2-methoxyphenoxy)-N-(2-methylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)pyridazine-4-carboxamide (CID 167198466) is 3-(4-fluoro-2-methoxyphenoxy)-N-(2-methylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)pyridazine-4-carboxamide.
What is the SMILES notation for 3-(4-fluoro-2-methoxyphenoxy)-N-(2-methylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)pyridazine-4-carboxamide?
The canonical SMILES for 3-(4-fluoro-2-methoxyphenoxy)-N-(2-methylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)pyridazine-4-carboxamide is COc1cc(F)ccc1Oc1nnc(C(F)(F)F)cc1C(=O)Nc1ccnc(S(C)(=O)=O)c1.
What is the InChIKey of 3-(4-fluoro-2-methoxyphenoxy)-N-(2-methylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)pyridazine-4-carboxamide?
The InChIKey is GNXGKDIXOGQGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N4O5S/c1-31-14-7-10(20)3-4-13(14)32-18-12(9-15(26-27-18)19(21,22)23)17(28)25-11-5-6-24-16(8-11)33(2,29)30/h3-9H,1-2H3,(H,24,25,28).
What are the key properties of 3-(4-fluoro-2-methoxyphenoxy)-N-(2-methylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)pyridazine-4-carboxamide?
3-(4-fluoro-2-methoxyphenoxy)-N-(2-methylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)pyridazine-4-carboxamide has a molecular weight of 486.40 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-methoxyphenoxy)-N-(2-methylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)pyridazine-4-carboxamide is sourced from PubChem (CID 167198466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).