2-(5-ethylsulfonylpyrimidin-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine

C14H12F3N5O2S — CID 57345394

IUPAC2-(5-ethylsulfonylpyrimidin-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCS(=O)(=O)c1cncnc1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C14H12F3N5O2S/c1-3-25(23,24)10-6-18-7-20-11(10)13-21-9-4-8(14(15,16)17)5-19-12(9)22(13)2/h4-7H,3H2,1-2H3
InChIKeyQQIRUYPMCYYRSD-UHFFFAOYSA-N
MW371.34 g/mol
LogP2.24
Rot. Bonds3

About 2-(5-ethylsulfonylpyrimidin-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine

2-(5-ethylsulfonylpyrimidin-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 57345394) has the molecular formula C14H12F3N5O2S and a molecular weight of 371.34 g/mol. Its IUPAC name is 2-(5-ethylsulfonylpyrimidin-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(5-ethylsulfonylpyrimidin-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID57345394
Molecular FormulaC14H12F3N5O2S
Molecular Weight371.34 g/mol
Exact Mass371.07
IUPAC Name2-(5-ethylsulfonylpyrimidin-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCS(=O)(=O)c1cncnc1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C14H12F3N5O2S/c1-3-25(23,24)10-6-18-7-20-11(10)13-21-9-4-8(14(15,16)17)5-19-12(9)22(13)2/h4-7H,3H2,1-2H3
InChIKeyQQIRUYPMCYYRSD-UHFFFAOYSA-N
XLogP2.24
TPSA90.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.34
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Zolimidine
CID 14652
N~2~-[2-Methyl-2-(Methylsulfonyl)propyl]-N~4~-[2-Methyl-1-(Propan-2-Yl)-1h-Imidazo[4,5-C]pyridin-6-Yl]pyrimidine-2,4-Diamine
CID 90183696
2-Methyl-N-{2-[4-(Methylsulfonyl)piperidin-1-Yl]pyrimidin-4-Yl}-1-(Propan-2-Yl)-1h-Imidazo[4,5-C]pyridin-6-Amine
CID 91971390
1-Isopropyl-7-(methylsulfonyl)-2-(4-(trifluoromethyl)pyrimidin-2-yl)-1,2,3,4-tetrahydrobenzo[4,5]imidazo[1,2-a]pyrazine
CID 89815984
N-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}benzenesulfonamide
CID 44444869
3-[1-[4-(methylsulfonyl)phenyl]-4-trifluoromethyl-1H-imidazol-2-yl]pyridine
CID 9929140
1-[4-(Methylsulfonyl)phenyl]-2-(4-methyl-2-pyridinyl)-4-(trifluoromethyl)-1H-imidazole
CID 11794210
3-(5-methylpyrrolo[2,3-b]pyrazin-3-yl)-N-[(3S)-1-propylsulfonylpiperidin-3-yl]pyridin-2-amine
CID 58177366
US10966980, Example 190
CID 118868911
6-chloro-9-[(4-methanesulfinyl-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine
CID 16735922
N,N-dimethyl-9-[(4-methylsulfonylphenyl)methyl]-2-(trifluoromethyl)purin-6-amine
CID 5271728
2-Methyl-3-(1-propylsulfonylpiperidin-4-yl)imidazo[4,5-b]pyridine
CID 16024672

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylsulfonylpyrimidin-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(5-ethylsulfonylpyrimidin-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 57345394) is 2-(5-ethylsulfonylpyrimidin-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(5-ethylsulfonylpyrimidin-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(5-ethylsulfonylpyrimidin-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine is CCS(=O)(=O)c1cncnc1-c1nc2cc(C(F)(F)F)cnc2n1C.
What is the InChIKey of 2-(5-ethylsulfonylpyrimidin-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is QQIRUYPMCYYRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5O2S/c1-3-25(23,24)10-6-18-7-20-11(10)13-21-9-4-8(14(15,16)17)5-19-12(9)22(13)2/h4-7H,3H2,1-2H3.
What are the key properties of 2-(5-ethylsulfonylpyrimidin-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
2-(5-ethylsulfonylpyrimidin-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 371.34 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylsulfonylpyrimidin-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 57345394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).