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

C23H23NO6 — CID 7426316

IUPAC(4S)-1-(4-methylphenyl)-4-(2,3,4-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
SMILESCOc1ccc([C@@H]2CC(=O)N(c3ccc(C)cc3)C3=C2C(=O)OC3)c(OC)c1OC
InChIInChI=1S/C23H23NO6/c1-13-5-7-14(8-6-13)24-17-12-30-23(26)20(17)16(11-19(24)25)15-9-10-18(27-2)22(29-4)21(15)28-3/h5-10,16H,11-12H2,1-4H3/t16-/m0/s1
InChIKeyPFLRGWUTRFORJP-INIZCTEOSA-N
MW409.44 g/mol
LogP3.35
Rot. Bonds5

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

(4S)-1-(4-methylphenyl)-4-(2,3,4-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione (PubChem CID 7426316) has the molecular formula C23H23NO6 and a molecular weight of 409.44 g/mol. Its IUPAC name is (4S)-1-(4-methylphenyl)-4-(2,3,4-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione.

Molecular Properties

Compound Name(4S)-1-(4-methylphenyl)-4-(2,3,4-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
PubChem CID7426316
Molecular FormulaC23H23NO6
Molecular Weight409.44 g/mol
Exact Mass409.15
IUPAC Name(4S)-1-(4-methylphenyl)-4-(2,3,4-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
SMILESCOc1ccc([C@@H]2CC(=O)N(c3ccc(C)cc3)C3=C2C(=O)OC3)c(OC)c1OC
InChIInChI=1S/C23H23NO6/c1-13-5-7-14(8-6-13)24-17-12-30-23(26)20(17)16(11-19(24)25)15-9-10-18(27-2)22(29-4)21(15)28-3/h5-10,16H,11-12H2,1-4H3/t16-/m0/s1
InChIKeyPFLRGWUTRFORJP-INIZCTEOSA-N
XLogP3.35
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-methylphenyl)-4-(2,3,4-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 6496414
(4R)-1-(4-chlorophenyl)-4-(2,3-dimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 7268743
4-(2,4-dimethoxyphenyl)-1-(4-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 6496432
(4S)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 7426306
4-(2,3-dimethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 5294826
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
(4S)-1-(3-chlorophenyl)-4-(2,4-dimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 7426323
(4R)-4-(4-hydroxy-3-methoxyphenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 7426289
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

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(4-methylphenyl)-4-(2,3,4-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The IUPAC name of (4S)-1-(4-methylphenyl)-4-(2,3,4-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione (CID 7426316) is (4S)-1-(4-methylphenyl)-4-(2,3,4-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione.
What is the SMILES notation for (4S)-1-(4-methylphenyl)-4-(2,3,4-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The canonical SMILES for (4S)-1-(4-methylphenyl)-4-(2,3,4-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione is COc1ccc([C@@H]2CC(=O)N(c3ccc(C)cc3)C3=C2C(=O)OC3)c(OC)c1OC.
What is the InChIKey of (4S)-1-(4-methylphenyl)-4-(2,3,4-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The InChIKey is PFLRGWUTRFORJP-INIZCTEOSA-N. The full InChI is InChI=1S/C23H23NO6/c1-13-5-7-14(8-6-13)24-17-12-30-23(26)20(17)16(11-19(24)25)15-9-10-18(27-2)22(29-4)21(15)28-3/h5-10,16H,11-12H2,1-4H3/t16-/m0/s1.
What are the key properties of (4S)-1-(4-methylphenyl)-4-(2,3,4-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
(4S)-1-(4-methylphenyl)-4-(2,3,4-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione has a molecular weight of 409.44 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(4-methylphenyl)-4-(2,3,4-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione is sourced from PubChem (CID 7426316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).