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

C25H22N4O4S — CID 10624347

IUPAC5-[[4-[(3-methyl-5-phenylmethoxyimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccc(OCc3ccccc3)nc21
InChIInChI=1S/C25H22N4O4S/c1-29-21(15-32-18-9-7-16(8-10-18)13-20-24(30)28-25(31)34-20)26-19-11-12-22(27-23(19)29)33-14-17-5-3-2-4-6-17/h2-12,20H,13-15H2,1H3,(H,28,30,31)
InChIKeyWTFQZRMVXHJCSA-UHFFFAOYSA-N
MW474.54 g/mol
LogP4.02
Rot. Bonds8

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

5-[[4-[(3-methyl-5-phenylmethoxyimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 10624347) has the molecular formula C25H22N4O4S and a molecular weight of 474.54 g/mol. Its IUPAC name is 5-[[4-[(3-methyl-5-phenylmethoxyimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[(3-methyl-5-phenylmethoxyimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID10624347
Molecular FormulaC25H22N4O4S
Molecular Weight474.54 g/mol
Exact Mass474.14
IUPAC Name5-[[4-[(3-methyl-5-phenylmethoxyimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccc(OCc3ccccc3)nc21
InChIInChI=1S/C25H22N4O4S/c1-29-21(15-32-18-9-7-16(8-10-18)13-20-24(30)28-25(31)34-20)26-19-11-12-22(27-23(19)29)33-14-17-5-3-2-4-6-17/h2-12,20H,13-15H2,1H3,(H,28,30,31)
InChIKeyWTFQZRMVXHJCSA-UHFFFAOYSA-N
XLogP4.02
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 54.02
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-[(3-methyl-5-phenylmethoxyimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[(3-methyl-5-phenylmethoxyimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 10624347) is 5-[[4-[(3-methyl-5-phenylmethoxyimidazo[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-phenylmethoxyimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[(3-methyl-5-phenylmethoxyimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccc(OCc3ccccc3)nc21.
What is the InChIKey of 5-[[4-[(3-methyl-5-phenylmethoxyimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is WTFQZRMVXHJCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4S/c1-29-21(15-32-18-9-7-16(8-10-18)13-20-24(30)28-25(31)34-20)26-19-11-12-22(27-23(19)29)33-14-17-5-3-2-4-6-17/h2-12,20H,13-15H2,1H3,(H,28,30,31).
What are the key properties of 5-[[4-[(3-methyl-5-phenylmethoxyimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-[(3-methyl-5-phenylmethoxyimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 474.54 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(3-methyl-5-phenylmethoxyimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 10624347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).