3-(5-cyano-3-methylpyrazin-2-yl)oxy-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide

C20H15F3N6O4S — CID 167199253

IUPAC3-(5-cyano-3-methylpyrazin-2-yl)oxy-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
SMILESCc1nc(C#N)cnc1Oc1nnc(C(F)(F)F)c(C)c1C(=O)Nc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C20H15F3N6O4S/c1-10-15(17(30)27-12-5-4-6-14(7-12)34(3,31)32)19(29-28-16(10)20(21,22)23)33-18-11(2)26-13(8-24)9-25-18/h4-7,9H,1-3H3,(H,27,30)
InChIKeyYADBZAOFZYOCLJ-UHFFFAOYSA-N
MW492.44 g/mol
LogP3.22
Rot. Bonds5

About 3-(5-cyano-3-methylpyrazin-2-yl)oxy-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide

3-(5-cyano-3-methylpyrazin-2-yl)oxy-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide (PubChem CID 167199253) has the molecular formula C20H15F3N6O4S and a molecular weight of 492.44 g/mol. Its IUPAC name is 3-(5-cyano-3-methylpyrazin-2-yl)oxy-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide.

Molecular Properties

Compound Name3-(5-cyano-3-methylpyrazin-2-yl)oxy-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
PubChem CID167199253
Molecular FormulaC20H15F3N6O4S
Molecular Weight492.44 g/mol
Exact Mass492.08
IUPAC Name3-(5-cyano-3-methylpyrazin-2-yl)oxy-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
SMILESCc1nc(C#N)cnc1Oc1nnc(C(F)(F)F)c(C)c1C(=O)Nc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C20H15F3N6O4S/c1-10-15(17(30)27-12-5-4-6-14(7-12)34(3,31)32)19(29-28-16(10)20(21,22)23)33-18-11(2)26-13(8-24)9-25-18/h4-7,9H,1-3H3,(H,27,30)
InChIKeyYADBZAOFZYOCLJ-UHFFFAOYSA-N
XLogP3.22
TPSA147.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-(5-cyano-3-methoxypyrazin-2-yl)oxy-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167198443
5-methyl-N-(3-methylsulfonylphenyl)-3-[3-methyl-5-[1-(trifluoromethyl)cyclopropyl]pyrazin-2-yl]oxy-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167199257
3-[(6-cyano-2,4-dimethyl-3-pyridinyl)oxy]-5-methyl-N-[3-(methylsulfonimidoyl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167198185
3-[5-(1-cyanocyclopropyl)-3-methoxypyrazin-2-yl]oxy-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167199136
3-(4-cyano-2,3-difluorophenoxy)-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167198399
3-[3-fluoro-5-(1-fluorocyclopropyl)pyrazin-2-yl]oxy-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167198747
3-(3-fluoro-2,4-dimethylphenoxy)-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167197632
5-methyl-N-[3-(methylsulfonimidoyl)phenyl]-3-[3-methyl-5-[1-(trifluoromethyl)cyclopropyl]pyrazin-2-yl]oxy-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167198763
3-(4-cyano-2,3-difluoro-6-methylphenoxy)-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167198713
3-[(2-fluoro-4,6-dimethyl-3-pyridinyl)oxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167197688
3-[[5-(1-cyanocyclopropyl)-6-fluoro-3-methyl-2-pyridinyl]oxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167199286
3-[[4-fluoro-5-(1-hydroxycyclobutyl)-3-methyl-2-pyridinyl]oxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167198786

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyano-3-methylpyrazin-2-yl)oxy-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide?
The IUPAC name of 3-(5-cyano-3-methylpyrazin-2-yl)oxy-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide (CID 167199253) is 3-(5-cyano-3-methylpyrazin-2-yl)oxy-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide.
What is the SMILES notation for 3-(5-cyano-3-methylpyrazin-2-yl)oxy-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide?
The canonical SMILES for 3-(5-cyano-3-methylpyrazin-2-yl)oxy-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide is Cc1nc(C#N)cnc1Oc1nnc(C(F)(F)F)c(C)c1C(=O)Nc1cccc(S(C)(=O)=O)c1.
What is the InChIKey of 3-(5-cyano-3-methylpyrazin-2-yl)oxy-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide?
The InChIKey is YADBZAOFZYOCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N6O4S/c1-10-15(17(30)27-12-5-4-6-14(7-12)34(3,31)32)19(29-28-16(10)20(21,22)23)33-18-11(2)26-13(8-24)9-25-18/h4-7,9H,1-3H3,(H,27,30).
What are the key properties of 3-(5-cyano-3-methylpyrazin-2-yl)oxy-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide?
3-(5-cyano-3-methylpyrazin-2-yl)oxy-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide has a molecular weight of 492.44 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyano-3-methylpyrazin-2-yl)oxy-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide is sourced from PubChem (CID 167199253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).