5-[[4-[(3,5,7-trimethylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

C20H20N4O3S — CID 10715771

IUPAC5-[[4-[(3,5,7-trimethylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCc1cc(C)c2nc(COc3ccc(CC4SC(=O)NC4=O)cc3)n(C)c2n1
InChIInChI=1S/C20H20N4O3S/c1-11-8-12(2)21-18-17(11)22-16(24(18)3)10-27-14-6-4-13(5-7-14)9-15-19(25)23-20(26)28-15/h4-8,15H,9-10H2,1-3H3,(H,23,25,26)
InChIKeyXMKZTZAAXUJJBA-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.06
Rot. Bonds5

About 5-[[4-[(3,5,7-trimethylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

5-[[4-[(3,5,7-trimethylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 10715771) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is 5-[[4-[(3,5,7-trimethylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[(3,5,7-trimethylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID10715771
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name5-[[4-[(3,5,7-trimethylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCc1cc(C)c2nc(COc3ccc(CC4SC(=O)NC4=O)cc3)n(C)c2n1
InChIInChI=1S/C20H20N4O3S/c1-11-8-12(2)21-18-17(11)22-16(24(18)3)10-27-14-6-4-13(5-7-14)9-15-19(25)23-20(26)28-15/h4-8,15H,9-10H2,1-3H3,(H,23,25,26)
InChIKeyXMKZTZAAXUJJBA-UHFFFAOYSA-N
XLogP3.06
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[[4-[(3,5,7-trimethylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-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

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(3,5,7-trimethylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[(3,5,7-trimethylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 10715771) is 5-[[4-[(3,5,7-trimethylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[(3,5,7-trimethylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[(3,5,7-trimethylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is Cc1cc(C)c2nc(COc3ccc(CC4SC(=O)NC4=O)cc3)n(C)c2n1.
What is the InChIKey of 5-[[4-[(3,5,7-trimethylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is XMKZTZAAXUJJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-11-8-12(2)21-18-17(11)22-16(24(18)3)10-27-14-6-4-13(5-7-14)9-15-19(25)23-20(26)28-15/h4-8,15H,9-10H2,1-3H3,(H,23,25,26).
What are the key properties of 5-[[4-[(3,5,7-trimethylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-[(3,5,7-trimethylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 396.47 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(3,5,7-trimethylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 10715771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).