7-(6-ethoxy-3-pyridinyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one

C19H15N3O2S — CID 56683912

IUPAC7-(6-ethoxy-3-pyridinyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one
SMILESCCOc1ccc(-c2c[nH]c(=O)c3cc(-c4ccncc4)sc23)cn1
InChIInChI=1S/C19H15N3O2S/c1-2-24-17-4-3-13(10-21-17)15-11-22-19(23)14-9-16(25-18(14)15)12-5-7-20-8-6-12/h3-11H,2H2,1H3,(H,22,23)
InChIKeyQNFNNVQKMNFIAM-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.11
Rot. Bonds4

About 7-(6-ethoxy-3-pyridinyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one

7-(6-ethoxy-3-pyridinyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one (PubChem CID 56683912) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 7-(6-ethoxy-3-pyridinyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name7-(6-ethoxy-3-pyridinyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one
PubChem CID56683912
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name7-(6-ethoxy-3-pyridinyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one
SMILESCCOc1ccc(-c2c[nH]c(=O)c3cc(-c4ccncc4)sc23)cn1
InChIInChI=1S/C19H15N3O2S/c1-2-24-17-4-3-13(10-21-17)15-11-22-19(23)14-9-16(25-18(14)15)12-5-7-20-8-6-12/h3-11H,2H2,1H3,(H,22,23)
InChIKeyQNFNNVQKMNFIAM-UHFFFAOYSA-N
XLogP4.11
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(6-ethoxy-3-pyridinyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one?
The IUPAC name of 7-(6-ethoxy-3-pyridinyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one (CID 56683912) is 7-(6-ethoxy-3-pyridinyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 7-(6-ethoxy-3-pyridinyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 7-(6-ethoxy-3-pyridinyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one is CCOc1ccc(-c2c[nH]c(=O)c3cc(-c4ccncc4)sc23)cn1.
What is the InChIKey of 7-(6-ethoxy-3-pyridinyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one?
The InChIKey is QNFNNVQKMNFIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-2-24-17-4-3-13(10-21-17)15-11-22-19(23)14-9-16(25-18(14)15)12-5-7-20-8-6-12/h3-11H,2H2,1H3,(H,22,23).
What are the key properties of 7-(6-ethoxy-3-pyridinyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one?
7-(6-ethoxy-3-pyridinyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one has a molecular weight of 349.42 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-ethoxy-3-pyridinyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 56683912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).