methyl 2-(4-chlorophenyl)-3-(cyclohexylmethyl)imidazo[1,2-a]pyridine-6-carboxylate

C22H23ClN2O2 — CID 53299402

IUPACmethyl 2-(4-chlorophenyl)-3-(cyclohexylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(CC3CCCCC3)n2c1
InChIInChI=1S/C22H23ClN2O2/c1-27-22(26)17-9-12-20-24-21(16-7-10-18(23)11-8-16)19(25(20)14-17)13-15-5-3-2-4-6-15/h7-12,14-15H,2-6,13H2,1H3
InChIKeyXZOQPCARWFTOEM-UHFFFAOYSA-N
MW382.89 g/mol
LogP5.56
Rot. Bonds4

About methyl 2-(4-chlorophenyl)-3-(cyclohexylmethyl)imidazo[1,2-a]pyridine-6-carboxylate

methyl 2-(4-chlorophenyl)-3-(cyclohexylmethyl)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 53299402) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is methyl 2-(4-chlorophenyl)-3-(cyclohexylmethyl)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-chlorophenyl)-3-(cyclohexylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID53299402
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC Namemethyl 2-(4-chlorophenyl)-3-(cyclohexylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(CC3CCCCC3)n2c1
InChIInChI=1S/C22H23ClN2O2/c1-27-22(26)17-9-12-20-24-21(16-7-10-18(23)11-8-16)19(25(20)14-17)13-15-5-3-2-4-6-15/h7-12,14-15H,2-6,13H2,1H3
InChIKeyXZOQPCARWFTOEM-UHFFFAOYSA-N
XLogP5.56
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.89
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Imidazo(1,2-a)pyridine-6-carboxylic acid, 3-(2-(dimethylamino)-2-oxoethyl)-2-(4-methylphenyl)-
CID 13691338
Imidazo[1,2-a]pyridine-6-carboxylic acid, 2-(3-aminophenyl)-, methyl ester
CID 3845864
Methyl 3-[2-(dipropylamino)-2-oxoethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxylate
CID 10739343
1-{2-[6-Chloro-2-(4-chloro-phenyl)-imidazo[1,2-a]pyridin-3-yl]-acetyl}-piperidine-3-carboxylic acid ethyl ester
CID 11328655
Ethyl 2-[8-(4-chlorophenyl)imidazo[1,5-a]pyrimidin-4-yl]-2-methyl-3-phenylpropanoate
CID 66964802
Methyl 5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)pyridine-3-carboxylate
CID 89471867
Ethyl 6-chloro-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473605
1-(4-chlorobenzyl)-3,7-dimethyl-8-(pyridin-3-ylmethoxy)-3,7-dihydro-1H-purine-2,6-dione
CID 657856
methyl 6-(1H-1,3-benzimidazol-1-yl)nicotinate
CID 4298771
[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl 6-chloroimidazo[1,2-a]pyridine-8-carboxylate
CID 11515258
Ethyl 2-(6-chloroimidazo[1,2-a]pyridin-2-yl)benzenecarboxylate
CID 16195235
2-(6-Chloroimidazo[1,2-a]pyridin-2-yl)benzenecarboxylic acid
CID 16195721

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chlorophenyl)-3-(cyclohexylmethyl)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-(4-chlorophenyl)-3-(cyclohexylmethyl)imidazo[1,2-a]pyridine-6-carboxylate (CID 53299402) is methyl 2-(4-chlorophenyl)-3-(cyclohexylmethyl)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-(4-chlorophenyl)-3-(cyclohexylmethyl)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-(4-chlorophenyl)-3-(cyclohexylmethyl)imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(CC3CCCCC3)n2c1.
What is the InChIKey of methyl 2-(4-chlorophenyl)-3-(cyclohexylmethyl)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is XZOQPCARWFTOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2/c1-27-22(26)17-9-12-20-24-21(16-7-10-18(23)11-8-16)19(25(20)14-17)13-15-5-3-2-4-6-15/h7-12,14-15H,2-6,13H2,1H3.
What are the key properties of methyl 2-(4-chlorophenyl)-3-(cyclohexylmethyl)imidazo[1,2-a]pyridine-6-carboxylate?
methyl 2-(4-chlorophenyl)-3-(cyclohexylmethyl)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 382.89 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chlorophenyl)-3-(cyclohexylmethyl)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 53299402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).