3-[3-fluoro-4-(1-fluorocyclopropyl)-2,6-dimethylphenoxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide

C25H22F5N3O4S — CID 167197687

IUPAC3-[3-fluoro-4-(1-fluorocyclopropyl)-2,6-dimethylphenoxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
SMILESCc1cc(C2(F)CC2)c(F)c(C)c1Oc1nnc(C(F)(F)F)c(C)c1C(=O)Nc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C25H22F5N3O4S/c1-12-10-17(24(27)8-9-24)19(26)14(3)20(12)37-23-18(13(2)21(32-33-23)25(28,29)30)22(34)31-15-6-5-7-16(11-15)38(4,35)36/h5-7,10-11H,8-9H2,1-4H3,(H,31,34)
InChIKeyUDZQZWAZGSIBCJ-UHFFFAOYSA-N
MW555.53 g/mol
LogP5.97
Rot. Bonds6

About 3-[3-fluoro-4-(1-fluorocyclopropyl)-2,6-dimethylphenoxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide

3-[3-fluoro-4-(1-fluorocyclopropyl)-2,6-dimethylphenoxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide (PubChem CID 167197687) has the molecular formula C25H22F5N3O4S and a molecular weight of 555.53 g/mol. Its IUPAC name is 3-[3-fluoro-4-(1-fluorocyclopropyl)-2,6-dimethylphenoxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide.

Molecular Properties

Compound Name3-[3-fluoro-4-(1-fluorocyclopropyl)-2,6-dimethylphenoxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
PubChem CID167197687
Molecular FormulaC25H22F5N3O4S
Molecular Weight555.53 g/mol
Exact Mass555.13
IUPAC Name3-[3-fluoro-4-(1-fluorocyclopropyl)-2,6-dimethylphenoxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
SMILESCc1cc(C2(F)CC2)c(F)c(C)c1Oc1nnc(C(F)(F)F)c(C)c1C(=O)Nc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C25H22F5N3O4S/c1-12-10-17(24(27)8-9-24)19(26)14(3)20(12)37-23-18(13(2)21(32-33-23)25(28,29)30)22(34)31-15-6-5-7-16(11-15)38(4,35)36/h5-7,10-11H,8-9H2,1-4H3,(H,31,34)
InChIKeyUDZQZWAZGSIBCJ-UHFFFAOYSA-N
XLogP5.97
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.53
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[3-fluoro-4-(1-fluorocyclopropyl)-2,6-dimethylphenoxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide 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-[3-fluoro-4-(1-fluorocyclopropyl)-2,6-dimethylphenoxy]-5-methyl-N-[3-(methylsulfonimidoyl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167197791
3-[3-fluoro-4-(1-fluorocyclobutyl)-2,6-dimethylphenoxy]-5-methyl-N-[3-(methylsulfonimidoyl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167197798
3-[3-fluoro-2,6-dimethyl-4-[1-(trifluoromethyl)cyclobutyl]phenoxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167198704
3-[[6-(1-fluorocyclopropyl)-2-methoxy-4-methyl-3-pyridinyl]oxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167198985
3-[3-fluoro-2-methyl-4-[1-(trifluoromethyl)cyclopropyl]phenoxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167197660
3-[3-fluoro-4-(1-fluorocyclobutyl)-2-methoxyphenoxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167197631
3-[2,3-difluoro-6-methyl-4-[1-(trifluoromethyl)cyclopropyl]phenoxy]-5-methyl-N-[3-(methylsulfonimidoyl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167197781
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
3-[(2-fluoro-4,6-dimethyl-3-pyridinyl)oxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167197688
3-[[2-fluoro-6-(1-fluorocyclopropyl)-4-methyl-3-pyridinyl]oxy]-5-methyl-N-[3-(methylsulfonimidoyl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167199040
3-(4-cyano-2,3-difluoro-6-methylphenoxy)-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167198713

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-(1-fluorocyclopropyl)-2,6-dimethylphenoxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide?
The IUPAC name of 3-[3-fluoro-4-(1-fluorocyclopropyl)-2,6-dimethylphenoxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide (CID 167197687) is 3-[3-fluoro-4-(1-fluorocyclopropyl)-2,6-dimethylphenoxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide.
What is the SMILES notation for 3-[3-fluoro-4-(1-fluorocyclopropyl)-2,6-dimethylphenoxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide?
The canonical SMILES for 3-[3-fluoro-4-(1-fluorocyclopropyl)-2,6-dimethylphenoxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide is Cc1cc(C2(F)CC2)c(F)c(C)c1Oc1nnc(C(F)(F)F)c(C)c1C(=O)Nc1cccc(S(C)(=O)=O)c1.
What is the InChIKey of 3-[3-fluoro-4-(1-fluorocyclopropyl)-2,6-dimethylphenoxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide?
The InChIKey is UDZQZWAZGSIBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F5N3O4S/c1-12-10-17(24(27)8-9-24)19(26)14(3)20(12)37-23-18(13(2)21(32-33-23)25(28,29)30)22(34)31-15-6-5-7-16(11-15)38(4,35)36/h5-7,10-11H,8-9H2,1-4H3,(H,31,34).
What are the key properties of 3-[3-fluoro-4-(1-fluorocyclopropyl)-2,6-dimethylphenoxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide?
3-[3-fluoro-4-(1-fluorocyclopropyl)-2,6-dimethylphenoxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide has a molecular weight of 555.53 g/mol, XLogP of 5.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-(1-fluorocyclopropyl)-2,6-dimethylphenoxy]-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide is sourced from PubChem (CID 167197687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).