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

C22H23BrN2O2 — CID 53299403

IUPACmethyl 2-(3-bromophenyl)-3-(cyclohexylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3cccc(Br)c3)c(CC3CCCCC3)n2c1
InChIInChI=1S/C22H23BrN2O2/c1-27-22(26)17-10-11-20-24-21(16-8-5-9-18(23)13-16)19(25(20)14-17)12-15-6-3-2-4-7-15/h5,8-11,13-15H,2-4,6-7,12H2,1H3
InChIKeyMRIJOVWMAHOPOS-UHFFFAOYSA-N
MW427.34 g/mol
LogP5.67
Rot. Bonds4

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

methyl 2-(3-bromophenyl)-3-(cyclohexylmethyl)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 53299403) has the molecular formula C22H23BrN2O2 and a molecular weight of 427.34 g/mol. Its IUPAC name is methyl 2-(3-bromophenyl)-3-(cyclohexylmethyl)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-bromophenyl)-3-(cyclohexylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID53299403
Molecular FormulaC22H23BrN2O2
Molecular Weight427.34 g/mol
Exact Mass426.09
IUPAC Namemethyl 2-(3-bromophenyl)-3-(cyclohexylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3cccc(Br)c3)c(CC3CCCCC3)n2c1
InChIInChI=1S/C22H23BrN2O2/c1-27-22(26)17-10-11-20-24-21(16-8-5-9-18(23)13-16)19(25(20)14-17)12-15-6-3-2-4-7-15/h5,8-11,13-15H,2-4,6-7,12H2,1H3
InChIKeyMRIJOVWMAHOPOS-UHFFFAOYSA-N
XLogP5.67
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.34
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(3-bromophenyl)-3-(cyclohexylmethyl)imidazo[1,2-a]pyridine-6-carboxylate with MolForge

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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
Methyl 5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)pyridine-3-carboxylate
CID 89471867
methyl 6-(1H-1,3-benzimidazol-1-yl)nicotinate
CID 4298771
Methyl 3-benzyl-2-propylimidazo[1,2-a]pyridine-6-carboxylate
CID 51359030
Methyl 3-[(4-methylphenyl)methyl]-2-propylimidazo[1,2-a]pyridine-6-carboxylate
CID 51359034
Methyl 2-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 51359798
Methyl 2-(3-bromophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 51359848
Methyl 2-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 53299407
Methyl 2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 53299415
Benzyl 7-methyl-2-phenyl-imidazo[1,2-a]pyridine-3-carboxylate
CID 57384113

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-bromophenyl)-3-(cyclohexylmethyl)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-(3-bromophenyl)-3-(cyclohexylmethyl)imidazo[1,2-a]pyridine-6-carboxylate (CID 53299403) is methyl 2-(3-bromophenyl)-3-(cyclohexylmethyl)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-(3-bromophenyl)-3-(cyclohexylmethyl)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-(3-bromophenyl)-3-(cyclohexylmethyl)imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(-c3cccc(Br)c3)c(CC3CCCCC3)n2c1.
What is the InChIKey of methyl 2-(3-bromophenyl)-3-(cyclohexylmethyl)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is MRIJOVWMAHOPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN2O2/c1-27-22(26)17-10-11-20-24-21(16-8-5-9-18(23)13-16)19(25(20)14-17)12-15-6-3-2-4-7-15/h5,8-11,13-15H,2-4,6-7,12H2,1H3.
What are the key properties of methyl 2-(3-bromophenyl)-3-(cyclohexylmethyl)imidazo[1,2-a]pyridine-6-carboxylate?
methyl 2-(3-bromophenyl)-3-(cyclohexylmethyl)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 427.34 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-bromophenyl)-3-(cyclohexylmethyl)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 53299403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).