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

C18H19NO2S — CID 42590902

IUPAC(7R)-7-(3-cyclopentyloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESO=C1C[C@H](c2cccc(OC3CCCC3)c2)c2sccc2N1
InChIInChI=1S/C18H19NO2S/c20-17-11-15(18-16(19-17)8-9-22-18)12-4-3-7-14(10-12)21-13-5-1-2-6-13/h3-4,7-10,13,15H,1-2,5-6,11H2,(H,19,20)/t15-/m1/s1
InChIKeyORWSPEDUPJQHAQ-OAHLLOKOSA-N
MW313.42 g/mol
LogP4.54
Rot. Bonds3

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

(7R)-7-(3-cyclopentyloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 42590902) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is (7R)-7-(3-cyclopentyloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name(7R)-7-(3-cyclopentyloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
PubChem CID42590902
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC Name(7R)-7-(3-cyclopentyloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESO=C1C[C@H](c2cccc(OC3CCCC3)c2)c2sccc2N1
InChIInChI=1S/C18H19NO2S/c20-17-11-15(18-16(19-17)8-9-22-18)12-4-3-7-14(10-12)21-13-5-1-2-6-13/h3-4,7-10,13,15H,1-2,5-6,11H2,(H,19,20)/t15-/m1/s1
InChIKeyORWSPEDUPJQHAQ-OAHLLOKOSA-N
XLogP4.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-(3-cyclopentyloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of (7R)-7-(3-cyclopentyloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 42590902) is (7R)-7-(3-cyclopentyloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for (7R)-7-(3-cyclopentyloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for (7R)-7-(3-cyclopentyloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is O=C1C[C@H](c2cccc(OC3CCCC3)c2)c2sccc2N1.
What is the InChIKey of (7R)-7-(3-cyclopentyloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is ORWSPEDUPJQHAQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19NO2S/c20-17-11-15(18-16(19-17)8-9-22-18)12-4-3-7-14(10-12)21-13-5-1-2-6-13/h3-4,7-10,13,15H,1-2,5-6,11H2,(H,19,20)/t15-/m1/s1.
What are the key properties of (7R)-7-(3-cyclopentyloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
(7R)-7-(3-cyclopentyloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 313.42 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(3-cyclopentyloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 42590902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).