1-[2-(2-ethylsulfanylphenyl)-3-methylimidazo[4,5-b]pyridin-5-yl]-2,2,2-trifluoroethanone

C17H14F3N3OS — CID 121266819

IUPAC1-[2-(2-ethylsulfanylphenyl)-3-methylimidazo[4,5-b]pyridin-5-yl]-2,2,2-trifluoroethanone
SMILESCCSc1ccccc1-c1nc2ccc(C(=O)C(F)(F)F)nc2n1C
InChIInChI=1S/C17H14F3N3OS/c1-3-25-13-7-5-4-6-10(13)15-22-12-9-8-11(14(24)17(18,19)20)21-16(12)23(15)2/h4-9H,3H2,1-2H3
InChIKeyACIOVHGHHZMFBT-UHFFFAOYSA-N
MW365.38 g/mol
LogP4.49
Rot. Bonds4

About 1-[2-(2-ethylsulfanylphenyl)-3-methylimidazo[4,5-b]pyridin-5-yl]-2,2,2-trifluoroethanone

1-[2-(2-ethylsulfanylphenyl)-3-methylimidazo[4,5-b]pyridin-5-yl]-2,2,2-trifluoroethanone (PubChem CID 121266819) has the molecular formula C17H14F3N3OS and a molecular weight of 365.38 g/mol. Its IUPAC name is 1-[2-(2-ethylsulfanylphenyl)-3-methylimidazo[4,5-b]pyridin-5-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[2-(2-ethylsulfanylphenyl)-3-methylimidazo[4,5-b]pyridin-5-yl]-2,2,2-trifluoroethanone
PubChem CID121266819
Molecular FormulaC17H14F3N3OS
Molecular Weight365.38 g/mol
Exact Mass365.08
IUPAC Name1-[2-(2-ethylsulfanylphenyl)-3-methylimidazo[4,5-b]pyridin-5-yl]-2,2,2-trifluoroethanone
SMILESCCSc1ccccc1-c1nc2ccc(C(=O)C(F)(F)F)nc2n1C
InChIInChI=1S/C17H14F3N3OS/c1-3-25-13-7-5-4-6-10(13)15-22-12-9-8-11(14(24)17(18,19)20)21-16(12)23(15)2/h4-9H,3H2,1-2H3
InChIKeyACIOVHGHHZMFBT-UHFFFAOYSA-N
XLogP4.49
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylsulfanylphenyl)-3-methylimidazo[4,5-b]pyridin-5-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[2-(2-ethylsulfanylphenyl)-3-methylimidazo[4,5-b]pyridin-5-yl]-2,2,2-trifluoroethanone (CID 121266819) is 1-[2-(2-ethylsulfanylphenyl)-3-methylimidazo[4,5-b]pyridin-5-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[2-(2-ethylsulfanylphenyl)-3-methylimidazo[4,5-b]pyridin-5-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[2-(2-ethylsulfanylphenyl)-3-methylimidazo[4,5-b]pyridin-5-yl]-2,2,2-trifluoroethanone is CCSc1ccccc1-c1nc2ccc(C(=O)C(F)(F)F)nc2n1C.
What is the InChIKey of 1-[2-(2-ethylsulfanylphenyl)-3-methylimidazo[4,5-b]pyridin-5-yl]-2,2,2-trifluoroethanone?
The InChIKey is ACIOVHGHHZMFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3OS/c1-3-25-13-7-5-4-6-10(13)15-22-12-9-8-11(14(24)17(18,19)20)21-16(12)23(15)2/h4-9H,3H2,1-2H3.
What are the key properties of 1-[2-(2-ethylsulfanylphenyl)-3-methylimidazo[4,5-b]pyridin-5-yl]-2,2,2-trifluoroethanone?
1-[2-(2-ethylsulfanylphenyl)-3-methylimidazo[4,5-b]pyridin-5-yl]-2,2,2-trifluoroethanone has a molecular weight of 365.38 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylsulfanylphenyl)-3-methylimidazo[4,5-b]pyridin-5-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 121266819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).