(4S)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione

C22H21NO6 — CID 7426306

IUPAC(4S)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
SMILESCOc1cc([C@@H]2CC(=O)N(c3ccc(C)cc3)C3=C2C(=O)OC3)cc(OC)c1O
InChIInChI=1S/C22H21NO6/c1-12-4-6-14(7-5-12)23-16-11-29-22(26)20(16)15(10-19(23)24)13-8-17(27-2)21(25)18(9-13)28-3/h4-9,15,25H,10-11H2,1-3H3/t15-/m0/s1
InChIKeyMLYGYQUDFHCFNN-HNNXBMFYSA-N
MW395.41 g/mol
LogP3.05
Rot. Bonds4

About (4S)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione

(4S)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione (PubChem CID 7426306) has the molecular formula C22H21NO6 and a molecular weight of 395.41 g/mol. Its IUPAC name is (4S)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione.

Molecular Properties

Compound Name(4S)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
PubChem CID7426306
Molecular FormulaC22H21NO6
Molecular Weight395.41 g/mol
Exact Mass395.14
IUPAC Name(4S)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
SMILESCOc1cc([C@@H]2CC(=O)N(c3ccc(C)cc3)C3=C2C(=O)OC3)cc(OC)c1O
InChIInChI=1S/C22H21NO6/c1-12-4-6-14(7-5-12)23-16-11-29-22(26)20(16)15(10-19(23)24)13-8-17(27-2)21(25)18(9-13)28-3/h4-9,15,25H,10-11H2,1-3H3/t15-/m0/s1
InChIKeyMLYGYQUDFHCFNN-HNNXBMFYSA-N
XLogP3.05
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,4-dimethoxyphenyl)-1-(4-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 6496432
(4R)-4-(4-hydroxy-3-methoxyphenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 7426289
(4S)-1-(4-methylphenyl)-4-(2,3,4-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 7426316
1-(3-chlorophenyl)-4-(3,4,5-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 4905723
1-(3-chloro-4-methylphenyl)-4-(3,4-dimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 6496397
1-(4-fluorophenyl)-4-(4-methoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 4973830
(4R)-1-(3-bromophenyl)-4-(4-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 7554101
(4S)-4-(3-methoxyphenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 7597566
1-(3-methylphenyl)-4-(2,3,4-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 6496414
(4S)-1-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 7426529
4-(3,4-dimethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 6496396
(4R)-1-(4-chlorophenyl)-4-(2,3-dimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 7268743

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The IUPAC name of (4S)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione (CID 7426306) is (4S)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione.
What is the SMILES notation for (4S)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The canonical SMILES for (4S)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione is COc1cc([C@@H]2CC(=O)N(c3ccc(C)cc3)C3=C2C(=O)OC3)cc(OC)c1O.
What is the InChIKey of (4S)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The InChIKey is MLYGYQUDFHCFNN-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H21NO6/c1-12-4-6-14(7-5-12)23-16-11-29-22(26)20(16)15(10-19(23)24)13-8-17(27-2)21(25)18(9-13)28-3/h4-9,15,25H,10-11H2,1-3H3/t15-/m0/s1.
What are the key properties of (4S)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
(4S)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione has a molecular weight of 395.41 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione is sourced from PubChem (CID 7426306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).