2-[[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxy]acetonitrile

C17H14F3N5OS — CID 135368070

IUPAC2-[[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxy]acetonitrile
SMILESCCSc1cc(OCC#N)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C17H14F3N5OS/c1-3-27-13-6-10(26-5-4-21)8-23-15(13)16-24-11-7-14(17(18,19)20)22-9-12(11)25(16)2/h6-9H,3,5H2,1-2H3
InChIKeyYZYGNDBIYMJVAJ-UHFFFAOYSA-N
MW393.39 g/mol
LogP4.06
Rot. Bonds5

About 2-[[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxy]acetonitrile

2-[[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxy]acetonitrile (PubChem CID 135368070) has the molecular formula C17H14F3N5OS and a molecular weight of 393.39 g/mol. Its IUPAC name is 2-[[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxy]acetonitrile.

Molecular Properties

Compound Name2-[[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxy]acetonitrile
PubChem CID135368070
Molecular FormulaC17H14F3N5OS
Molecular Weight393.39 g/mol
Exact Mass393.09
IUPAC Name2-[[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxy]acetonitrile
SMILESCCSc1cc(OCC#N)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C17H14F3N5OS/c1-3-27-13-6-10(26-5-4-21)8-23-15(13)16-24-11-7-14(17(18,19)20)22-9-12(11)25(16)2/h6-9H,3,5H2,1-2H3
InChIKeyYZYGNDBIYMJVAJ-UHFFFAOYSA-N
XLogP4.06
TPSA76.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxy]acetonitrile with MolForge

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Related Compounds

2-[2-Methyl-8-(thiophen-2-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 20459008
5-[2-(6-Aminopurin-9-yl)ethoxy]pyridine-2-carbonitrile
CID 170551583
4-methyl-5-[[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole
CID 118745840
4-methyl-2-[[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole
CID 118746607
8-methyl-7-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 118746611
6-Ethyl-9-(3-methoxypyridin-4-yl)-2-(trifluoromethyl)purine
CID 10064768
9-butyl-6-(2,2-difluoroethoxy)-N-(6-methoxypyridin-3-yl)purin-2-amine
CID 18474701
9-butyl-6-(2,2-difluoroethoxy)-N-(6-ethoxypyridin-3-yl)purin-2-amine
CID 18474733
5-Methoxy-2-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine
CID 22998087
3-(6-Methoxypyridin-3-yl)-2-pyridin-2-yl-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridine
CID 53251452
3-(6-Methoxypyridin-3-yl)-2-pyridin-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)imidazo[4,5-b]pyridine
CID 53251453
3-Methyl-2-[3-(2-methylsulfanylethoxy)pyridin-4-yl]-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 68093614

Frequently Asked Questions

What is the IUPAC name of 2-[[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxy]acetonitrile?
The IUPAC name of 2-[[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxy]acetonitrile (CID 135368070) is 2-[[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxy]acetonitrile.
What is the SMILES notation for 2-[[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxy]acetonitrile?
The canonical SMILES for 2-[[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxy]acetonitrile is CCSc1cc(OCC#N)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C.
What is the InChIKey of 2-[[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxy]acetonitrile?
The InChIKey is YZYGNDBIYMJVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5OS/c1-3-27-13-6-10(26-5-4-21)8-23-15(13)16-24-11-7-14(17(18,19)20)22-9-12(11)25(16)2/h6-9H,3,5H2,1-2H3.
What are the key properties of 2-[[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxy]acetonitrile?
2-[[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxy]acetonitrile has a molecular weight of 393.39 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxy]acetonitrile is sourced from PubChem (CID 135368070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).