2-[[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]quinoline

C20H15F3N4O3S — CID 22499567

IUPAC2-[[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]quinoline
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2OCc2ccc3ccccc3n2)nc1
InChIInChI=1S/C20H15F3N4O3S/c1-31(28,29)15-8-9-18(24-11-15)27-19(10-17(26-27)20(21,22)23)30-12-14-7-6-13-4-2-3-5-16(13)25-14/h2-11H,12H2,1H3
InChIKeyDNULINWQYXKPMY-UHFFFAOYSA-N
MW448.43 g/mol
LogP3.82
Rot. Bonds5

About 2-[[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]quinoline

2-[[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]quinoline (PubChem CID 22499567) has the molecular formula C20H15F3N4O3S and a molecular weight of 448.43 g/mol. Its IUPAC name is 2-[[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]quinoline.

Molecular Properties

Compound Name2-[[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]quinoline
PubChem CID22499567
Molecular FormulaC20H15F3N4O3S
Molecular Weight448.43 g/mol
Exact Mass448.08
IUPAC Name2-[[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]quinoline
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2OCc2ccc3ccccc3n2)nc1
InChIInChI=1S/C20H15F3N4O3S/c1-31(28,29)15-8-9-18(24-11-15)27-19(10-17(26-27)20(21,22)23)30-12-14-7-6-13-4-2-3-5-16(13)25-14/h2-11H,12H2,1H3
InChIKeyDNULINWQYXKPMY-UHFFFAOYSA-N
XLogP3.82
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.43
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]quinoline 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

5-methylsulfonyl-2-[5-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 20774115
2-[5-[(4-chlorophenyl)methoxy]-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine
CID 22499710
5-methylsulfonyl-2-[5-naphthalen-2-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine
CID 10477108
2-[5-(2-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine
CID 10271182
2-[3,5-bis(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine
CID 151333347
N-butan-2-yl-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-amine
CID 22499789
methanamine;5-methylsulfonyl-2-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine
CID 22226767
2-[5-(4-methoxy-3-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine
CID 12972729
2-[4-chloro-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine
CID 10135715
2-methyl-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]benzonitrile
CID 10179470
2-[5-(furan-2-yl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine
CID 12991483
2-[5-(2,4-difluorophenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine
CID 10431304

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]quinoline?
The IUPAC name of 2-[[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]quinoline (CID 22499567) is 2-[[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]quinoline.
What is the SMILES notation for 2-[[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]quinoline?
The canonical SMILES for 2-[[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]quinoline is CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2OCc2ccc3ccccc3n2)nc1.
What is the InChIKey of 2-[[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]quinoline?
The InChIKey is DNULINWQYXKPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O3S/c1-31(28,29)15-8-9-18(24-11-15)27-19(10-17(26-27)20(21,22)23)30-12-14-7-6-13-4-2-3-5-16(13)25-14/h2-11H,12H2,1H3.
What are the key properties of 2-[[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]quinoline?
2-[[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]quinoline has a molecular weight of 448.43 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]quinoline is sourced from PubChem (CID 22499567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).