6-(2-hydroxy-1-phenylethyl)-3-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one

C20H18N2O2S — CID 171354970

IUPAC6-(2-hydroxy-1-phenylethyl)-3-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one
SMILESO=C1c2scc(-c3cccnc3)c2CCN1C(CO)c1ccccc1
InChIInChI=1S/C20H18N2O2S/c23-12-18(14-5-2-1-3-6-14)22-10-8-16-17(13-25-19(16)20(22)24)15-7-4-9-21-11-15/h1-7,9,11,13,18,23H,8,10,12H2
InChIKeyPBQVXLJBUDHUGU-UHFFFAOYSA-N
MW350.44 g/mol
LogP3.54
Rot. Bonds4

About 6-(2-hydroxy-1-phenylethyl)-3-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one

6-(2-hydroxy-1-phenylethyl)-3-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one (PubChem CID 171354970) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is 6-(2-hydroxy-1-phenylethyl)-3-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name6-(2-hydroxy-1-phenylethyl)-3-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one
PubChem CID171354970
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Name6-(2-hydroxy-1-phenylethyl)-3-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one
SMILESO=C1c2scc(-c3cccnc3)c2CCN1C(CO)c1ccccc1
InChIInChI=1S/C20H18N2O2S/c23-12-18(14-5-2-1-3-6-14)22-10-8-16-17(13-25-19(16)20(22)24)15-7-4-9-21-11-15/h1-7,9,11,13,18,23H,8,10,12H2
InChIKeyPBQVXLJBUDHUGU-UHFFFAOYSA-N
XLogP3.54
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(2-hydroxy-1-phenylethyl)-3-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxy-1-phenylethyl)-3-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one?
The IUPAC name of 6-(2-hydroxy-1-phenylethyl)-3-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one (CID 171354970) is 6-(2-hydroxy-1-phenylethyl)-3-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one.
What is the SMILES notation for 6-(2-hydroxy-1-phenylethyl)-3-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one?
The canonical SMILES for 6-(2-hydroxy-1-phenylethyl)-3-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one is O=C1c2scc(-c3cccnc3)c2CCN1C(CO)c1ccccc1.
What is the InChIKey of 6-(2-hydroxy-1-phenylethyl)-3-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one?
The InChIKey is PBQVXLJBUDHUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c23-12-18(14-5-2-1-3-6-14)22-10-8-16-17(13-25-19(16)20(22)24)15-7-4-9-21-11-15/h1-7,9,11,13,18,23H,8,10,12H2.
What are the key properties of 6-(2-hydroxy-1-phenylethyl)-3-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one?
6-(2-hydroxy-1-phenylethyl)-3-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one has a molecular weight of 350.44 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxy-1-phenylethyl)-3-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one is sourced from PubChem (CID 171354970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).