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

C18H16F3N5OS — CID 150882893

IUPAC2-[[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxy]propanenitrile
SMILESCCSc1cc(OC(C)C#N)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C18H16F3N5OS/c1-4-28-14-5-11(27-10(2)7-22)8-24-16(14)17-25-12-6-15(18(19,20)21)23-9-13(12)26(17)3/h5-6,8-10H,4H2,1-3H3
InChIKeyKWKAEAKDACSXHZ-UHFFFAOYSA-N
MW407.42 g/mol
LogP4.45
Rot. Bonds5

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

2-[[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxy]propanenitrile (PubChem CID 150882893) has the molecular formula C18H16F3N5OS and a molecular weight of 407.42 g/mol. Its IUPAC name is 2-[[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxy]propanenitrile.

Molecular Properties

Compound Name2-[[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxy]propanenitrile
PubChem CID150882893
Molecular FormulaC18H16F3N5OS
Molecular Weight407.42 g/mol
Exact Mass407.10
IUPAC Name2-[[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxy]propanenitrile
SMILESCCSc1cc(OC(C)C#N)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C18H16F3N5OS/c1-4-28-14-5-11(27-10(2)7-22)8-24-16(14)17-25-12-6-15(18(19,20)21)23-9-13(12)26(17)3/h5-6,8-10H,4H2,1-3H3
InChIKeyKWKAEAKDACSXHZ-UHFFFAOYSA-N
XLogP4.45
TPSA76.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-[(1E,3Z)-2-chloropenta-1,3-dienyl]-3-ethylsulfanyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 145301709
5-ethylsulfanyl-2-iodo-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol
CID 147995964
N-[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-3,3,3-trifluoro-N-methylpropanamide
CID 142621049
2-(2-bromo-5-ethylsulfanyl-1-methylimidazol-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 135222430
5-ethylsulfanyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-2-amine
CID 154980356
2-[5-(3,5-difluoro-2-pyridinyl)-3-ethylsulfanyl-2-pyridinyl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine
CID 146383925
1-[3-ethylsulfanyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]phenyl]cyclopropane-1-carbonitrile
CID 146269029
2-[6-(3,5-dichloro-4-fluorophenyl)-3-ethylsulfanyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 122430886
2-methyl-2-[[6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-propyl-3-pyridinyl]oxy]propanenitrile;sulfur monoxide
CID 171789656
2-[[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxy]-N-methyl-2-methylsulfanylacetamide
CID 152539963
2-[3-ethylsulfinyl-5-(2-methylsulfanylethoxy)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;hydrate
CID 162326333
1-[5-ethylsulfanyl-6-[1-methyl-5-(trifluoromethoxy)benzimidazol-2-yl]-3-pyridinyl]cyclopropane-1-carbonitrile
CID 142548124

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]propanenitrile?
The IUPAC name of 2-[[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxy]propanenitrile (CID 150882893) is 2-[[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxy]propanenitrile.
What is the SMILES notation for 2-[[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxy]propanenitrile?
The canonical SMILES for 2-[[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxy]propanenitrile is CCSc1cc(OC(C)C#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]propanenitrile?
The InChIKey is KWKAEAKDACSXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5OS/c1-4-28-14-5-11(27-10(2)7-22)8-24-16(14)17-25-12-6-15(18(19,20)21)23-9-13(12)26(17)3/h5-6,8-10H,4H2,1-3H3.
What are the key properties of 2-[[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxy]propanenitrile?
2-[[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxy]propanenitrile has a molecular weight of 407.42 g/mol, XLogP of 4.45, 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]propanenitrile is sourced from PubChem (CID 150882893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).