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

C14H12F3N5OS — CID 57345406

IUPAC2-(5-ethylsulfinylpyrimidin-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCS(=O)c1cncnc1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C14H12F3N5OS/c1-3-24(23)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
InChIKeyCZPSGRFNDCMTDR-UHFFFAOYSA-N
MW355.35 g/mol
LogP2.57
Rot. Bonds3

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

2-(5-ethylsulfinylpyrimidin-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 57345406) has the molecular formula C14H12F3N5OS and a molecular weight of 355.35 g/mol. Its IUPAC name is 2-(5-ethylsulfinylpyrimidin-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(5-ethylsulfinylpyrimidin-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID57345406
Molecular FormulaC14H12F3N5OS
Molecular Weight355.35 g/mol
Exact Mass355.07
IUPAC Name2-(5-ethylsulfinylpyrimidin-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCS(=O)c1cncnc1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C14H12F3N5OS/c1-3-24(23)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
InChIKeyCZPSGRFNDCMTDR-UHFFFAOYSA-N
XLogP2.57
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N2-[(1s)-1-(5-Fluoropyrimidin-2-Yl)ethyl]-7-Methyl-N4-(1-Methylimidazol-4-Yl)thieno[3,2-D]pyrimidine-2,4-Diamine
CID 45275254
1-Isopropyl-7-(methylsulfonyl)-2-(4-(trifluoromethyl)pyrimidin-2-yl)-1,2,3,4-tetrahydrobenzo[4,5]imidazo[1,2-a]pyrazine
CID 89815984
7H-Purine, 6-[(4-pyridinylmethyl)thio]-
CID 3246461
3-[1-[4-(methylsulfonyl)phenyl]-4-trifluoromethyl-1H-imidazol-2-yl]pyridine
CID 9929140
8,10-Dimethyl-12-(2-methyl-3-pyridinyl)-5-thia-1,3,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 73334611
8,10-Dimethyl-12-(6-methyl-3-pyridinyl)-5-thia-1,3,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 73425857
8,10-Dimethyl-12-(2-methyl-4-pyridinyl)-5-thia-1,3,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 73425975
4-N-butyl-5-(thiophen-3-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 117887431
6-chloro-9-[(4-methanesulfinyl-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine
CID 16735922
3-(1-Ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-pyridin-2-ylamine
CID 44397686
1-[[4-[(6-benzylsulfanylpurin-9-yl)methyl]phenyl]methyl]-N,N-dimethylpyridin-1-ium-4-amine bromide
CID 71740659
3-Cyclohexyl-2-(3-ethylsulfonylphenyl)imidazo[4,5-b]pyridine
CID 118723470

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylsulfinylpyrimidin-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(5-ethylsulfinylpyrimidin-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 57345406) is 2-(5-ethylsulfinylpyrimidin-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(5-ethylsulfinylpyrimidin-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(5-ethylsulfinylpyrimidin-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine is CCS(=O)c1cncnc1-c1nc2cc(C(F)(F)F)cnc2n1C.
What is the InChIKey of 2-(5-ethylsulfinylpyrimidin-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is CZPSGRFNDCMTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5OS/c1-3-24(23)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-ethylsulfinylpyrimidin-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
2-(5-ethylsulfinylpyrimidin-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 355.35 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylsulfinylpyrimidin-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 57345406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).