3-ethylsulfanyl-2-(5-methoxy-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine

C16H14F3N3OS — CID 139333868

IUPAC3-ethylsulfanyl-2-(5-methoxy-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCCSc1c(-c2ccc(OC)cn2)nc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C16H14F3N3OS/c1-3-24-15-14(12-6-5-11(23-2)8-20-12)21-13-7-4-10(9-22(13)15)16(17,18)19/h4-9H,3H2,1-2H3
InChIKeyWRBTVNPTTCFQOL-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.54
Rot. Bonds4

About 3-ethylsulfanyl-2-(5-methoxy-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine

3-ethylsulfanyl-2-(5-methoxy-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 139333868) has the molecular formula C16H14F3N3OS and a molecular weight of 353.37 g/mol. Its IUPAC name is 3-ethylsulfanyl-2-(5-methoxy-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-ethylsulfanyl-2-(5-methoxy-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID139333868
Molecular FormulaC16H14F3N3OS
Molecular Weight353.37 g/mol
Exact Mass353.08
IUPAC Name3-ethylsulfanyl-2-(5-methoxy-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCCSc1c(-c2ccc(OC)cn2)nc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C16H14F3N3OS/c1-3-24-15-14(12-6-5-11(23-2)8-20-12)21-13-7-4-10(9-22(13)15)16(17,18)19/h4-9H,3H2,1-2H3
InChIKeyWRBTVNPTTCFQOL-UHFFFAOYSA-N
XLogP4.54
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-2-(5-methoxy-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-ethylsulfanyl-2-(5-methoxy-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 139333868) is 3-ethylsulfanyl-2-(5-methoxy-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-ethylsulfanyl-2-(5-methoxy-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-ethylsulfanyl-2-(5-methoxy-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine is CCSc1c(-c2ccc(OC)cn2)nc2ccc(C(F)(F)F)cn12.
What is the InChIKey of 3-ethylsulfanyl-2-(5-methoxy-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is WRBTVNPTTCFQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3OS/c1-3-24-15-14(12-6-5-11(23-2)8-20-12)21-13-7-4-10(9-22(13)15)16(17,18)19/h4-9H,3H2,1-2H3.
What are the key properties of 3-ethylsulfanyl-2-(5-methoxy-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
3-ethylsulfanyl-2-(5-methoxy-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 353.37 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-2-(5-methoxy-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 139333868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).