(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate

C20H15ClN2O5 — CID 8858505

IUPAC(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
SMILESCc1cc(=O)oc2cc(OCC(=O)OCc3cn4cc(Cl)ccc4n3)ccc12
InChIInChI=1S/C20H15ClN2O5/c1-12-6-19(24)28-17-7-15(3-4-16(12)17)26-11-20(25)27-10-14-9-23-8-13(21)2-5-18(23)22-14/h2-9H,10-11H2,1H3
InChIKeyQSOXOMHJHQYECA-UHFFFAOYSA-N
MW398.80 g/mol
LogP3.52
Rot. Bonds5

About (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate

(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate (PubChem CID 8858505) has the molecular formula C20H15ClN2O5 and a molecular weight of 398.80 g/mol. Its IUPAC name is (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate.

Molecular Properties

Compound Name(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
PubChem CID8858505
Molecular FormulaC20H15ClN2O5
Molecular Weight398.80 g/mol
Exact Mass398.07
IUPAC Name(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
SMILESCc1cc(=O)oc2cc(OCC(=O)OCc3cn4cc(Cl)ccc4n3)ccc12
InChIInChI=1S/C20H15ClN2O5/c1-12-6-19(24)28-17-7-15(3-4-16(12)17)26-11-20(25)27-10-14-9-23-8-13(21)2-5-18(23)22-14/h2-9H,10-11H2,1H3
InChIKeyQSOXOMHJHQYECA-UHFFFAOYSA-N
XLogP3.52
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.80
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(3,5-dimethylphenoxy)acetate
CID 8911730
6-chloro-7-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]-4-methylchromen-2-one
CID 27015894
(4-methyl-2-oxochromen-7-yl) 2-(4-chlorophenoxy)acetate
CID 728525
(2,4-dichlorophenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 8778362
(2-amino-2-oxoethyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7844229
(7-methoxy-2-oxochromen-4-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4857472
(3,4-dichlorophenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 1112325
2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4616193
4-methyl-7-(2-oxobutoxy)chromen-2-one
CID 62038518
7-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-4-propylchromen-2-one
CID 112787885
propan-2-yl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 2788108
N'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]-2-(4-methylphenoxy)acetohydrazide
CID 19166677

Frequently Asked Questions

What is the IUPAC name of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
The IUPAC name of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate (CID 8858505) is (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate.
What is the SMILES notation for (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
The canonical SMILES for (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate is Cc1cc(=O)oc2cc(OCC(=O)OCc3cn4cc(Cl)ccc4n3)ccc12.
What is the InChIKey of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
The InChIKey is QSOXOMHJHQYECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O5/c1-12-6-19(24)28-17-7-15(3-4-16(12)17)26-11-20(25)27-10-14-9-23-8-13(21)2-5-18(23)22-14/h2-9H,10-11H2,1H3.
What are the key properties of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate has a molecular weight of 398.80 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate is sourced from PubChem (CID 8858505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).