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

C19H18N4O4S — CID 10620872

IUPAC5-[[4-[(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc2nc(COc3ccc(CC4SC(=O)NC4=O)cc3)n(C)c2n1
InChIInChI=1S/C19H18N4O4S/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)
InChIKeyVPFJHPSVNYPBHL-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.45
Rot. Bonds6

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

5-[[4-[(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 10620872) has the molecular formula C19H18N4O4S and a molecular weight of 398.44 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.

Molecular Properties

Compound Name5-[[4-[(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID10620872
Molecular FormulaC19H18N4O4S
Molecular Weight398.44 g/mol
Exact Mass398.10
IUPAC Name5-[[4-[(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc2nc(COc3ccc(CC4SC(=O)NC4=O)cc3)n(C)c2n1
InChIInChI=1S/C19H18N4O4S/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)
InChIKeyVPFJHPSVNYPBHL-UHFFFAOYSA-N
XLogP2.45
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.45
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?
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 (CID 10620872) is 5-[[4-[(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.
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?
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 is COc1ccc2nc(COc3ccc(CC4SC(=O)NC4=O)cc3)n(C)c2n1.
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?
The InChIKey is VPFJHPSVNYPBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S/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).
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?
5-[[4-[(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 398.44 g/mol, XLogP of 2.45, 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 is sourced from PubChem (CID 10620872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).