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

C18H15ClN4O3S — CID 10787321

IUPAC5-[[4-[(5-chloro-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccc(Cl)nc21
InChIInChI=1S/C18H15ClN4O3S/c1-23-15(20-12-6-7-14(19)21-16(12)23)9-26-11-4-2-10(3-5-11)8-13-17(24)22-18(25)27-13/h2-7,13H,8-9H2,1H3,(H,22,24,25)
InChIKeyRGQNYGHRASYZHL-UHFFFAOYSA-N
MW402.86 g/mol
LogP3.09
Rot. Bonds5

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

5-[[4-[(5-chloro-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 10787321) has the molecular formula C18H15ClN4O3S and a molecular weight of 402.86 g/mol. Its IUPAC name is 5-[[4-[(5-chloro-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[(5-chloro-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID10787321
Molecular FormulaC18H15ClN4O3S
Molecular Weight402.86 g/mol
Exact Mass402.06
IUPAC Name5-[[4-[(5-chloro-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccc(Cl)nc21
InChIInChI=1S/C18H15ClN4O3S/c1-23-15(20-12-6-7-14(19)21-16(12)23)9-26-11-4-2-10(3-5-11)8-13-17(24)22-18(25)27-13/h2-7,13H,8-9H2,1H3,(H,22,24,25)
InChIKeyRGQNYGHRASYZHL-UHFFFAOYSA-N
XLogP3.09
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.86
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(5-chloro-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[(5-chloro-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 10787321) is 5-[[4-[(5-chloro-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-chloro-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[(5-chloro-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccc(Cl)nc21.
What is the InChIKey of 5-[[4-[(5-chloro-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is RGQNYGHRASYZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O3S/c1-23-15(20-12-6-7-14(19)21-16(12)23)9-26-11-4-2-10(3-5-11)8-13-17(24)22-18(25)27-13/h2-7,13H,8-9H2,1H3,(H,22,24,25).
What are the key properties of 5-[[4-[(5-chloro-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-[(5-chloro-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 402.86 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(5-chloro-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 10787321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).