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

C20H16N2O2S — CID 56667019

IUPAC7-[2-(methoxymethyl)phenyl]-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one
SMILESCOCc1ccccc1-c1c[nH]c(=O)c2cc(-c3ccncc3)sc12
InChIInChI=1S/C20H16N2O2S/c1-24-12-14-4-2-3-5-15(14)17-11-22-20(23)16-10-18(25-19(16)17)13-6-8-21-9-7-13/h2-11H,12H2,1H3,(H,22,23)
InChIKeyOLSJFKRZJSIFMG-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.47
Rot. Bonds4

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

7-[2-(methoxymethyl)phenyl]-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one (PubChem CID 56667019) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 7-[2-(methoxymethyl)phenyl]-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name7-[2-(methoxymethyl)phenyl]-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one
PubChem CID56667019
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Name7-[2-(methoxymethyl)phenyl]-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one
SMILESCOCc1ccccc1-c1c[nH]c(=O)c2cc(-c3ccncc3)sc12
InChIInChI=1S/C20H16N2O2S/c1-24-12-14-4-2-3-5-15(14)17-11-22-20(23)16-10-18(25-19(16)17)13-6-8-21-9-7-13/h2-11H,12H2,1H3,(H,22,23)
InChIKeyOLSJFKRZJSIFMG-UHFFFAOYSA-N
XLogP4.47
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
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-[2-(methoxymethyl)phenyl]-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one?
The IUPAC name of 7-[2-(methoxymethyl)phenyl]-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one (CID 56667019) is 7-[2-(methoxymethyl)phenyl]-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 7-[2-(methoxymethyl)phenyl]-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 7-[2-(methoxymethyl)phenyl]-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one is COCc1ccccc1-c1c[nH]c(=O)c2cc(-c3ccncc3)sc12.
What is the InChIKey of 7-[2-(methoxymethyl)phenyl]-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one?
The InChIKey is OLSJFKRZJSIFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c1-24-12-14-4-2-3-5-15(14)17-11-22-20(23)16-10-18(25-19(16)17)13-6-8-21-9-7-13/h2-11H,12H2,1H3,(H,22,23).
What are the key properties of 7-[2-(methoxymethyl)phenyl]-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one?
7-[2-(methoxymethyl)phenyl]-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one has a molecular weight of 348.43 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(methoxymethyl)phenyl]-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 56667019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).