(7S)-3-(3,4-dimethoxyphenyl)-7-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

C23H23NO6S — CID 26433697

IUPAC(7S)-3-(3,4-dimethoxyphenyl)-7-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCOc1ccc(-c2csc3c2NC(=O)C[C@H]3c2cc(OC)c(O)c(OC)c2)cc1OC
InChIInChI=1S/C23H23NO6S/c1-27-16-6-5-12(7-17(16)28-2)15-11-31-23-14(10-20(25)24-21(15)23)13-8-18(29-3)22(26)19(9-13)30-4/h5-9,11,14,26H,10H2,1-4H3,(H,24,25)/t14-/m0/s1
InChIKeySROAPTQWFJCOMA-AWEZNQCLSA-N
MW441.51 g/mol
LogP4.63
Rot. Bonds6

About (7S)-3-(3,4-dimethoxyphenyl)-7-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

(7S)-3-(3,4-dimethoxyphenyl)-7-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 26433697) has the molecular formula C23H23NO6S and a molecular weight of 441.51 g/mol. Its IUPAC name is (7S)-3-(3,4-dimethoxyphenyl)-7-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name(7S)-3-(3,4-dimethoxyphenyl)-7-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
PubChem CID26433697
Molecular FormulaC23H23NO6S
Molecular Weight441.51 g/mol
Exact Mass441.12
IUPAC Name(7S)-3-(3,4-dimethoxyphenyl)-7-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCOc1ccc(-c2csc3c2NC(=O)C[C@H]3c2cc(OC)c(O)c(OC)c2)cc1OC
InChIInChI=1S/C23H23NO6S/c1-27-16-6-5-12(7-17(16)28-2)15-11-31-23-14(10-20(25)24-21(15)23)13-8-18(29-3)22(26)19(9-13)30-4/h5-9,11,14,26H,10H2,1-4H3,(H,24,25)/t14-/m0/s1
InChIKeySROAPTQWFJCOMA-AWEZNQCLSA-N
XLogP4.63
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (7S)-3-(3,4-dimethoxyphenyl)-7-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one with MolForge

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

Launch Full Analysis

Related Compounds

(7S)-3-(3,4-dimethoxyphenyl)-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 26433683
(7R)-7-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086539
2-[2-methoxy-4-[(7S)-3-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]phenoxy]acetamide
CID 94086184
(7R)-3-(3-fluorophenyl)-7-(3-hydroxy-4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086440
7-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 50811402
3-(4-fluorophenyl)-7-(3-methoxy-4-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 50811430
(7S)-7-(3-methoxy-4-prop-2-ynoxyphenyl)-3-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086087
(7R)-7-(4-ethoxy-3-methoxyphenyl)-3-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086408
3-(2-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 22587155
(7R)-7-[3-methoxy-4-(2-methylpropoxy)phenyl]-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086039
(7S)-3-(4-chlorophenyl)-7-(4-hydroxy-3,5-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
CID 52898233
(7R)-3-(2-fluorophenyl)-7-(4-hydroxy-3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086290

Frequently Asked Questions

What is the IUPAC name of (7S)-3-(3,4-dimethoxyphenyl)-7-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of (7S)-3-(3,4-dimethoxyphenyl)-7-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 26433697) is (7S)-3-(3,4-dimethoxyphenyl)-7-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for (7S)-3-(3,4-dimethoxyphenyl)-7-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for (7S)-3-(3,4-dimethoxyphenyl)-7-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is COc1ccc(-c2csc3c2NC(=O)C[C@H]3c2cc(OC)c(O)c(OC)c2)cc1OC.
What is the InChIKey of (7S)-3-(3,4-dimethoxyphenyl)-7-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is SROAPTQWFJCOMA-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H23NO6S/c1-27-16-6-5-12(7-17(16)28-2)15-11-31-23-14(10-20(25)24-21(15)23)13-8-18(29-3)22(26)19(9-13)30-4/h5-9,11,14,26H,10H2,1-4H3,(H,24,25)/t14-/m0/s1.
What are the key properties of (7S)-3-(3,4-dimethoxyphenyl)-7-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
(7S)-3-(3,4-dimethoxyphenyl)-7-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 441.51 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-3-(3,4-dimethoxyphenyl)-7-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 26433697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).