7-(4-fluoro-2-methoxyphenyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one

C19H13FN2O2S — CID 56677280

IUPAC7-(4-fluoro-2-methoxyphenyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one
SMILESCOc1cc(F)ccc1-c1c[nH]c(=O)c2cc(-c3ccncc3)sc12
InChIInChI=1S/C19H13FN2O2S/c1-24-16-8-12(20)2-3-13(16)15-10-22-19(23)14-9-17(25-18(14)15)11-4-6-21-7-5-11/h2-10H,1H3,(H,22,23)
InChIKeyWEPVISFEMWVLFZ-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.47
Rot. Bonds3

About 7-(4-fluoro-2-methoxyphenyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one

7-(4-fluoro-2-methoxyphenyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one (PubChem CID 56677280) has the molecular formula C19H13FN2O2S and a molecular weight of 352.39 g/mol. Its IUPAC name is 7-(4-fluoro-2-methoxyphenyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name7-(4-fluoro-2-methoxyphenyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one
PubChem CID56677280
Molecular FormulaC19H13FN2O2S
Molecular Weight352.39 g/mol
Exact Mass352.07
IUPAC Name7-(4-fluoro-2-methoxyphenyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one
SMILESCOc1cc(F)ccc1-c1c[nH]c(=O)c2cc(-c3ccncc3)sc12
InChIInChI=1S/C19H13FN2O2S/c1-24-16-8-12(20)2-3-13(16)15-10-22-19(23)14-9-17(25-18(14)15)11-4-6-21-7-5-11/h2-10H,1H3,(H,22,23)
InChIKeyWEPVISFEMWVLFZ-UHFFFAOYSA-N
XLogP4.47
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluoro-2-methoxyphenyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one?
The IUPAC name of 7-(4-fluoro-2-methoxyphenyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one (CID 56677280) is 7-(4-fluoro-2-methoxyphenyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 7-(4-fluoro-2-methoxyphenyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 7-(4-fluoro-2-methoxyphenyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one is COc1cc(F)ccc1-c1c[nH]c(=O)c2cc(-c3ccncc3)sc12.
What is the InChIKey of 7-(4-fluoro-2-methoxyphenyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one?
The InChIKey is WEPVISFEMWVLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O2S/c1-24-16-8-12(20)2-3-13(16)15-10-22-19(23)14-9-17(25-18(14)15)11-4-6-21-7-5-11/h2-10H,1H3,(H,22,23).
What are the key properties of 7-(4-fluoro-2-methoxyphenyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one?
7-(4-fluoro-2-methoxyphenyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one has a molecular weight of 352.39 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluoro-2-methoxyphenyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 56677280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).