(7R)-7-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

C14H13NO2S — CID 42588654

IUPAC(7R)-7-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCOc1ccc([C@H]2CC(=O)Nc3ccsc32)cc1
InChIInChI=1S/C14H13NO2S/c1-17-10-4-2-9(3-5-10)11-8-13(16)15-12-6-7-18-14(11)12/h2-7,11H,8H2,1H3,(H,15,16)/t11-/m1/s1
InChIKeyORXDHDMEEPUIFB-LLVKDONJSA-N
MW259.33 g/mol
LogP3.23
Rot. Bonds2

About (7R)-7-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

(7R)-7-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 42588654) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is (7R)-7-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name(7R)-7-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
PubChem CID42588654
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC Name(7R)-7-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCOc1ccc([C@H]2CC(=O)Nc3ccsc32)cc1
InChIInChI=1S/C14H13NO2S/c1-17-10-4-2-9(3-5-10)11-8-13(16)15-12-6-7-18-14(11)12/h2-7,11H,8H2,1H3,(H,15,16)/t11-/m1/s1
InChIKeyORXDHDMEEPUIFB-LLVKDONJSA-N
XLogP3.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of (7R)-7-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 42588654) is (7R)-7-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for (7R)-7-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for (7R)-7-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is COc1ccc([C@H]2CC(=O)Nc3ccsc32)cc1.
What is the InChIKey of (7R)-7-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is ORXDHDMEEPUIFB-LLVKDONJSA-N. The full InChI is InChI=1S/C14H13NO2S/c1-17-10-4-2-9(3-5-10)11-8-13(16)15-12-6-7-18-14(11)12/h2-7,11H,8H2,1H3,(H,15,16)/t11-/m1/s1.
What are the key properties of (7R)-7-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
(7R)-7-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 259.33 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 42588654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).