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

C24H19ClN4O3S — CID 10696037

IUPAC5-[[4-[[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccc(OCc3nc4cccnc4n3Cc3ccc(Cl)cc3)cc2)S1
InChIInChI=1S/C24H19ClN4O3S/c25-17-7-3-16(4-8-17)13-29-21(27-19-2-1-11-26-22(19)29)14-32-18-9-5-15(6-10-18)12-20-23(30)28-24(31)33-20/h1-11,20H,12-14H2,(H,28,30,31)
InChIKeyHGANQTZHGBMPLO-UHFFFAOYSA-N
MW478.96 g/mol
LogP4.61
Rot. Bonds7

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

5-[[4-[[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 10696037) has the molecular formula C24H19ClN4O3S and a molecular weight of 478.96 g/mol. Its IUPAC name is 5-[[4-[[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID10696037
Molecular FormulaC24H19ClN4O3S
Molecular Weight478.96 g/mol
Exact Mass478.09
IUPAC Name5-[[4-[[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccc(OCc3nc4cccnc4n3Cc3ccc(Cl)cc3)cc2)S1
InChIInChI=1S/C24H19ClN4O3S/c25-17-7-3-16(4-8-17)13-29-21(27-19-2-1-11-26-22(19)29)14-32-18-9-5-15(6-10-18)12-20-23(30)28-24(31)33-20/h1-11,20H,12-14H2,(H,28,30,31)
InChIKeyHGANQTZHGBMPLO-UHFFFAOYSA-N
XLogP4.61
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.96
LogP ≤ 54.61
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-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 10696037) is 5-[[4-[[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(Cc2ccc(OCc3nc4cccnc4n3Cc3ccc(Cl)cc3)cc2)S1.
What is the InChIKey of 5-[[4-[[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is HGANQTZHGBMPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O3S/c25-17-7-3-16(4-8-17)13-29-21(27-19-2-1-11-26-22(19)29)14-32-18-9-5-15(6-10-18)12-20-23(30)28-24(31)33-20/h1-11,20H,12-14H2,(H,28,30,31).
What are the key properties of 5-[[4-[[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-[[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 478.96 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 10696037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).