(5R)-5-[(2R)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutyl]-1,3-thiazolidine-2,4-dione

C23H21FN2O3S — CID 137487338

IUPAC(5R)-5-[(2R)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutyl]-1,3-thiazolidine-2,4-dione
SMILESCC(C)[C@@H](C[C@H]1SC(=O)NC1=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C23H21FN2O3S/c1-12(2)16(11-20-22(28)26-23(29)30-20)15-8-9-19(25-21(15)27)14-7-6-13-4-3-5-18(24)17(13)10-14/h3-10,12,16,20H,11H2,1-2H3,(H,25,27)(H,26,28,29)/t16-,20-/m1/s1
InChIKeyJIWDAZJAHHBDEK-OXQOHEQNSA-N
MW424.50 g/mol
LogP4.82
Rot. Bonds5

About (5R)-5-[(2R)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutyl]-1,3-thiazolidine-2,4-dione

(5R)-5-[(2R)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutyl]-1,3-thiazolidine-2,4-dione (PubChem CID 137487338) has the molecular formula C23H21FN2O3S and a molecular weight of 424.50 g/mol. Its IUPAC name is (5R)-5-[(2R)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(2R)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutyl]-1,3-thiazolidine-2,4-dione
PubChem CID137487338
Molecular FormulaC23H21FN2O3S
Molecular Weight424.50 g/mol
Exact Mass424.13
IUPAC Name(5R)-5-[(2R)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutyl]-1,3-thiazolidine-2,4-dione
SMILESCC(C)[C@@H](C[C@H]1SC(=O)NC1=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C23H21FN2O3S/c1-12(2)16(11-20-22(28)26-23(29)30-20)15-8-9-19(25-21(15)27)14-7-6-13-4-3-5-18(24)17(13)10-14/h3-10,12,16,20H,11H2,1-2H3,(H,25,27)(H,26,28,29)/t16-,20-/m1/s1
InChIKeyJIWDAZJAHHBDEK-OXQOHEQNSA-N
XLogP4.82
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze (5R)-5-[(2R)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutyl]-1,3-thiazolidine-2,4-dione 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

6-(8-fluoronaphthalen-2-yl)-3-[(2S)-3-methyl-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-1H-pyridin-2-one
CID 137487344
2-fluoro-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide
CID 137477568
5-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]-1,3-thiazolidine-2,4-dione
CID 137477697
6-(8-fluoronaphthalen-2-yl)-3-[(1E)-3-methyl-1-(2-oxopyrrolidin-3-ylidene)butan-2-yl]-1H-pyridin-2-one
CID 137477910
(5Z)-5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutylidene]-1,3-thiazolidine-2,4-dione
CID 137477983
6-(8-fluoronaphthalen-2-yl)-3-[(1Z)-3-methyl-1-(2-oxopyrrolidin-3-ylidene)butan-2-yl]-1H-pyridin-2-one
CID 137478205
3-methyl-2-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)butanamide
CID 137478241
3-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-4-methylpentanamide
CID 137478254
(5Z)-5-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropylidene]-1,3-thiazolidine-2,4-dione
CID 137487342
(5R)-5-[(2S)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutyl]-1,3-thiazolidine-2,4-dione
CID 137490797
(5Z)-5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutylidene]imidazolidine-2,4-dione
CID 162673365
6-(8-fluoronaphthalen-2-yl)-3-[(2R)-3-methyl-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-1H-pyridin-2-one
CID 164620081

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(2R)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(2R)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutyl]-1,3-thiazolidine-2,4-dione (CID 137487338) is (5R)-5-[(2R)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(2R)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(2R)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutyl]-1,3-thiazolidine-2,4-dione is CC(C)[C@@H](C[C@H]1SC(=O)NC1=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O.
What is the InChIKey of (5R)-5-[(2R)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is JIWDAZJAHHBDEK-OXQOHEQNSA-N. The full InChI is InChI=1S/C23H21FN2O3S/c1-12(2)16(11-20-22(28)26-23(29)30-20)15-8-9-19(25-21(15)27)14-7-6-13-4-3-5-18(24)17(13)10-14/h3-10,12,16,20H,11H2,1-2H3,(H,25,27)(H,26,28,29)/t16-,20-/m1/s1.
What are the key properties of (5R)-5-[(2R)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutyl]-1,3-thiazolidine-2,4-dione?
(5R)-5-[(2R)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 424.50 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(2R)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 137487338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).