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

C24H20N4O3S — CID 10527264

IUPAC5-[[4-[(3-methyl-5-phenylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccc(-c3ccccc3)nc21
InChIInChI=1S/C24H20N4O3S/c1-28-21(25-19-12-11-18(26-22(19)28)16-5-3-2-4-6-16)14-31-17-9-7-15(8-10-17)13-20-23(29)27-24(30)32-20/h2-12,20H,13-14H2,1H3,(H,27,29,30)
InChIKeyVAXPHAUJUYIUHV-UHFFFAOYSA-N
MW444.52 g/mol
LogP4.11
Rot. Bonds6

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

5-[[4-[(3-methyl-5-phenylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 10527264) has the molecular formula C24H20N4O3S and a molecular weight of 444.52 g/mol. Its IUPAC name is 5-[[4-[(3-methyl-5-phenylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[(3-methyl-5-phenylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID10527264
Molecular FormulaC24H20N4O3S
Molecular Weight444.52 g/mol
Exact Mass444.13
IUPAC Name5-[[4-[(3-methyl-5-phenylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccc(-c3ccccc3)nc21
InChIInChI=1S/C24H20N4O3S/c1-28-21(25-19-12-11-18(26-22(19)28)16-5-3-2-4-6-16)14-31-17-9-7-15(8-10-17)13-20-23(29)27-24(30)32-20/h2-12,20H,13-14H2,1H3,(H,27,29,30)
InChIKeyVAXPHAUJUYIUHV-UHFFFAOYSA-N
XLogP4.11
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[(3-methyl-5-phenylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[(3-methyl-5-phenylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 10527264) is 5-[[4-[(3-methyl-5-phenylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[(3-methyl-5-phenylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[(3-methyl-5-phenylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccc(-c3ccccc3)nc21.
What is the InChIKey of 5-[[4-[(3-methyl-5-phenylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is VAXPHAUJUYIUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3S/c1-28-21(25-19-12-11-18(26-22(19)28)16-5-3-2-4-6-16)14-31-17-9-7-15(8-10-17)13-20-23(29)27-24(30)32-20/h2-12,20H,13-14H2,1H3,(H,27,29,30).
What are the key properties of 5-[[4-[(3-methyl-5-phenylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-[(3-methyl-5-phenylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 444.52 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(3-methyl-5-phenylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 10527264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).