6-[6-(1,1-difluoroethyl)-3-methylimidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanylpyridin-3-ol

C16H16F2N4OS — CID 146496946

IUPAC6-[6-(1,1-difluoroethyl)-3-methylimidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanylpyridin-3-ol
SMILESCCSc1cc(O)cnc1-c1nc2cc(C(C)(F)F)ncc2n1C
InChIInChI=1S/C16H16F2N4OS/c1-4-24-12-5-9(23)7-20-14(12)15-21-10-6-13(16(2,17)18)19-8-11(10)22(15)3/h5-8,23H,4H2,1-3H3
InChIKeyALEKSGNYYXMWLT-UHFFFAOYSA-N
MW350.39 g/mol
LogP3.96
Rot. Bonds4

About 6-[6-(1,1-difluoroethyl)-3-methylimidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanylpyridin-3-ol

6-[6-(1,1-difluoroethyl)-3-methylimidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanylpyridin-3-ol (PubChem CID 146496946) has the molecular formula C16H16F2N4OS and a molecular weight of 350.39 g/mol. Its IUPAC name is 6-[6-(1,1-difluoroethyl)-3-methylimidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanylpyridin-3-ol.

Molecular Properties

Compound Name6-[6-(1,1-difluoroethyl)-3-methylimidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanylpyridin-3-ol
PubChem CID146496946
Molecular FormulaC16H16F2N4OS
Molecular Weight350.39 g/mol
Exact Mass350.10
IUPAC Name6-[6-(1,1-difluoroethyl)-3-methylimidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanylpyridin-3-ol
SMILESCCSc1cc(O)cnc1-c1nc2cc(C(C)(F)F)ncc2n1C
InChIInChI=1S/C16H16F2N4OS/c1-4-24-12-5-9(23)7-20-14(12)15-21-10-6-13(16(2,17)18)19-8-11(10)22(15)3/h5-8,23H,4H2,1-3H3
InChIKeyALEKSGNYYXMWLT-UHFFFAOYSA-N
XLogP3.96
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(1,1-difluoroethyl)-3-methylimidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanylpyridin-3-ol?
The IUPAC name of 6-[6-(1,1-difluoroethyl)-3-methylimidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanylpyridin-3-ol (CID 146496946) is 6-[6-(1,1-difluoroethyl)-3-methylimidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanylpyridin-3-ol.
What is the SMILES notation for 6-[6-(1,1-difluoroethyl)-3-methylimidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanylpyridin-3-ol?
The canonical SMILES for 6-[6-(1,1-difluoroethyl)-3-methylimidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanylpyridin-3-ol is CCSc1cc(O)cnc1-c1nc2cc(C(C)(F)F)ncc2n1C.
What is the InChIKey of 6-[6-(1,1-difluoroethyl)-3-methylimidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanylpyridin-3-ol?
The InChIKey is ALEKSGNYYXMWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4OS/c1-4-24-12-5-9(23)7-20-14(12)15-21-10-6-13(16(2,17)18)19-8-11(10)22(15)3/h5-8,23H,4H2,1-3H3.
What are the key properties of 6-[6-(1,1-difluoroethyl)-3-methylimidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanylpyridin-3-ol?
6-[6-(1,1-difluoroethyl)-3-methylimidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanylpyridin-3-ol has a molecular weight of 350.39 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(1,1-difluoroethyl)-3-methylimidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanylpyridin-3-ol is sourced from PubChem (CID 146496946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).