5-[[4-[(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride

C19H19ClN4O4S — CID 11743669

IUPAC5-[[4-[(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride
SMILESCOc1ccc2nc(COc3ccc(CC4SC(=O)NC4=O)cc3)n(C)c2n1.Cl
InChIInChI=1S/C19H18N4O4S.ClH/c1-23-15(20-13-7-8-16(26-2)21-17(13)23)10-27-12-5-3-11(4-6-12)9-14-18(24)22-19(25)28-14;/h3-8,14H,9-10H2,1-2H3,(H,22,24,25);1H
InChIKeyORVMOLLUPSPJIJ-UHFFFAOYSA-N
MW434.91 g/mol
LogP2.87
Rot. Bonds6

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

5-[[4-[(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride (PubChem CID 11743669) has the molecular formula C19H19ClN4O4S and a molecular weight of 434.91 g/mol. Its IUPAC name is 5-[[4-[(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name5-[[4-[(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride
PubChem CID11743669
Molecular FormulaC19H19ClN4O4S
Molecular Weight434.91 g/mol
Exact Mass434.08
IUPAC Name5-[[4-[(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride
SMILESCOc1ccc2nc(COc3ccc(CC4SC(=O)NC4=O)cc3)n(C)c2n1.Cl
InChIInChI=1S/C19H18N4O4S.ClH/c1-23-15(20-13-7-8-16(26-2)21-17(13)23)10-27-12-5-3-11(4-6-12)9-14-18(24)22-19(25)28-14;/h3-8,14H,9-10H2,1-2H3,(H,22,24,25);1H
InChIKeyORVMOLLUPSPJIJ-UHFFFAOYSA-N
XLogP2.87
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.91
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride?
The IUPAC name of 5-[[4-[(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride (CID 11743669) is 5-[[4-[(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for 5-[[4-[(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride?
The canonical SMILES for 5-[[4-[(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride is COc1ccc2nc(COc3ccc(CC4SC(=O)NC4=O)cc3)n(C)c2n1.Cl.
What is the InChIKey of 5-[[4-[(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride?
The InChIKey is ORVMOLLUPSPJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S.ClH/c1-23-15(20-13-7-8-16(26-2)21-17(13)23)10-27-12-5-3-11(4-6-12)9-14-18(24)22-19(25)28-14;/h3-8,14H,9-10H2,1-2H3,(H,22,24,25);1H.
What are the key properties of 5-[[4-[(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride?
5-[[4-[(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride has a molecular weight of 434.91 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 11743669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).