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

C19H18N4O3S — CID 10500105

IUPAC5-[[4-[(3,7-dimethylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCc1ccnc2c1nc(COc1ccc(CC3SC(=O)NC3=O)cc1)n2C
InChIInChI=1S/C19H18N4O3S/c1-11-7-8-20-17-16(11)21-15(23(17)2)10-26-13-5-3-12(4-6-13)9-14-18(24)22-19(25)27-14/h3-8,14H,9-10H2,1-2H3,(H,22,24,25)
InChIKeyGEDVNJBBQRQVJE-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.75
Rot. Bonds5

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

5-[[4-[(3,7-dimethylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 10500105) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 5-[[4-[(3,7-dimethylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[(3,7-dimethylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID10500105
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name5-[[4-[(3,7-dimethylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCc1ccnc2c1nc(COc1ccc(CC3SC(=O)NC3=O)cc1)n2C
InChIInChI=1S/C19H18N4O3S/c1-11-7-8-20-17-16(11)21-15(23(17)2)10-26-13-5-3-12(4-6-13)9-14-18(24)22-19(25)27-14/h3-8,14H,9-10H2,1-2H3,(H,22,24,25)
InChIKeyGEDVNJBBQRQVJE-UHFFFAOYSA-N
XLogP2.75
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[[4-[(3,7-dimethylimidazo[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-[(3,7-dimethylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[(3,7-dimethylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 10500105) is 5-[[4-[(3,7-dimethylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[(3,7-dimethylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[(3,7-dimethylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is Cc1ccnc2c1nc(COc1ccc(CC3SC(=O)NC3=O)cc1)n2C.
What is the InChIKey of 5-[[4-[(3,7-dimethylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is GEDVNJBBQRQVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-11-7-8-20-17-16(11)21-15(23(17)2)10-26-13-5-3-12(4-6-13)9-14-18(24)22-19(25)27-14/h3-8,14H,9-10H2,1-2H3,(H,22,24,25).
What are the key properties of 5-[[4-[(3,7-dimethylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-[(3,7-dimethylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 382.45 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(3,7-dimethylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 10500105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).