1-[2-(2-ethylsulfanylphenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]-2,2,2-trifluoroethanol

C17H16F3N3OS — CID 67981185

IUPAC1-[2-(2-ethylsulfanylphenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]-2,2,2-trifluoroethanol
SMILESCCSc1ccccc1-c1nc2cc(C(O)C(F)(F)F)cnc2n1C
InChIInChI=1S/C17H16F3N3OS/c1-3-25-13-7-5-4-6-11(13)15-22-12-8-10(14(24)17(18,19)20)9-21-16(12)23(15)2/h4-9,14,24H,3H2,1-2H3
InChIKeyFKQWXJGKWJEZFM-UHFFFAOYSA-N
MW367.40 g/mol
LogP4.34
Rot. Bonds4

About 1-[2-(2-ethylsulfanylphenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]-2,2,2-trifluoroethanol

1-[2-(2-ethylsulfanylphenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]-2,2,2-trifluoroethanol (PubChem CID 67981185) has the molecular formula C17H16F3N3OS and a molecular weight of 367.40 g/mol. Its IUPAC name is 1-[2-(2-ethylsulfanylphenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-[2-(2-ethylsulfanylphenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]-2,2,2-trifluoroethanol
PubChem CID67981185
Molecular FormulaC17H16F3N3OS
Molecular Weight367.40 g/mol
Exact Mass367.10
IUPAC Name1-[2-(2-ethylsulfanylphenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]-2,2,2-trifluoroethanol
SMILESCCSc1ccccc1-c1nc2cc(C(O)C(F)(F)F)cnc2n1C
InChIInChI=1S/C17H16F3N3OS/c1-3-25-13-7-5-4-6-11(13)15-22-12-8-10(14(24)17(18,19)20)9-21-16(12)23(15)2/h4-9,14,24H,3H2,1-2H3
InChIKeyFKQWXJGKWJEZFM-UHFFFAOYSA-N
XLogP4.34
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 54.34
H-Bond Donors ≤ 51
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-6-yl]-2,2,2-trifluoroethanol?
The IUPAC name of 1-[2-(2-ethylsulfanylphenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]-2,2,2-trifluoroethanol (CID 67981185) is 1-[2-(2-ethylsulfanylphenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-[2-(2-ethylsulfanylphenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]-2,2,2-trifluoroethanol?
The canonical SMILES for 1-[2-(2-ethylsulfanylphenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]-2,2,2-trifluoroethanol is CCSc1ccccc1-c1nc2cc(C(O)C(F)(F)F)cnc2n1C.
What is the InChIKey of 1-[2-(2-ethylsulfanylphenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]-2,2,2-trifluoroethanol?
The InChIKey is FKQWXJGKWJEZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3OS/c1-3-25-13-7-5-4-6-11(13)15-22-12-8-10(14(24)17(18,19)20)9-21-16(12)23(15)2/h4-9,14,24H,3H2,1-2H3.
What are the key properties of 1-[2-(2-ethylsulfanylphenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]-2,2,2-trifluoroethanol?
1-[2-(2-ethylsulfanylphenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]-2,2,2-trifluoroethanol has a molecular weight of 367.40 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 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-6-yl]-2,2,2-trifluoroethanol is sourced from PubChem (CID 67981185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).