5-ethylsulfanyl-6-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]pyridin-3-amine

C14H12F3N5S — CID 138577938

IUPAC5-ethylsulfanyl-6-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]pyridin-3-amine
SMILESCCSc1cc(N)cnc1-c1nc2ncc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C14H12F3N5S/c1-2-23-10-4-8(18)6-19-11(10)13-21-9-3-7(14(15,16)17)5-20-12(9)22-13/h3-6H,2,18H2,1H3,(H,20,21,22)
InChIKeyNRIZLAPDFYWSDI-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.73
Rot. Bonds3

About 5-ethylsulfanyl-6-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]pyridin-3-amine

5-ethylsulfanyl-6-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]pyridin-3-amine (PubChem CID 138577938) has the molecular formula C14H12F3N5S and a molecular weight of 339.35 g/mol. Its IUPAC name is 5-ethylsulfanyl-6-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]pyridin-3-amine.

Molecular Properties

Compound Name5-ethylsulfanyl-6-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]pyridin-3-amine
PubChem CID138577938
Molecular FormulaC14H12F3N5S
Molecular Weight339.35 g/mol
Exact Mass339.08
IUPAC Name5-ethylsulfanyl-6-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]pyridin-3-amine
SMILESCCSc1cc(N)cnc1-c1nc2ncc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C14H12F3N5S/c1-2-23-10-4-8(18)6-19-11(10)13-21-9-3-7(14(15,16)17)5-20-12(9)22-13/h3-6H,2,18H2,1H3,(H,20,21,22)
InChIKeyNRIZLAPDFYWSDI-UHFFFAOYSA-N
XLogP3.73
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfanyl-6-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]pyridin-3-amine?
The IUPAC name of 5-ethylsulfanyl-6-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]pyridin-3-amine (CID 138577938) is 5-ethylsulfanyl-6-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]pyridin-3-amine.
What is the SMILES notation for 5-ethylsulfanyl-6-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]pyridin-3-amine?
The canonical SMILES for 5-ethylsulfanyl-6-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]pyridin-3-amine is CCSc1cc(N)cnc1-c1nc2ncc(C(F)(F)F)cc2[nH]1.
What is the InChIKey of 5-ethylsulfanyl-6-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]pyridin-3-amine?
The InChIKey is NRIZLAPDFYWSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5S/c1-2-23-10-4-8(18)6-19-11(10)13-21-9-3-7(14(15,16)17)5-20-12(9)22-13/h3-6H,2,18H2,1H3,(H,20,21,22).
What are the key properties of 5-ethylsulfanyl-6-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]pyridin-3-amine?
5-ethylsulfanyl-6-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]pyridin-3-amine has a molecular weight of 339.35 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfanyl-6-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]pyridin-3-amine is sourced from PubChem (CID 138577938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).