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

C22H17FN2O2 — CID 51359438

IUPACmethyl 3-benzyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(F)cc3)c(Cc3ccccc3)n2c1
InChIInChI=1S/C22H17FN2O2/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/h2-12,14H,13H2,1H3
InChIKeyZKRVHZSQHPJBJU-UHFFFAOYSA-N
MW360.39 g/mol
LogP4.52
Rot. Bonds4

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

methyl 3-benzyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 51359438) has the molecular formula C22H17FN2O2 and a molecular weight of 360.39 g/mol. Its IUPAC name is methyl 3-benzyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-benzyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID51359438
Molecular FormulaC22H17FN2O2
Molecular Weight360.39 g/mol
Exact Mass360.13
IUPAC Namemethyl 3-benzyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(F)cc3)c(Cc3ccccc3)n2c1
InChIInChI=1S/C22H17FN2O2/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/h2-12,14H,13H2,1H3
InChIKeyZKRVHZSQHPJBJU-UHFFFAOYSA-N
XLogP4.52
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

FG 5893
CID 127728
Methyl 4-(7-fluoro-6-pyridin-4-ylbenzimidazol-1-yl)benzoate
CID 146316027
Ethyl 2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473601
Ethyl 6-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473602
Ethyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473603
Imidazo(1,2-a)pyridine-6-carboxylic acid, 3-(2-(dimethylamino)-2-oxoethyl)-2-(4-methylphenyl)-
CID 13691338
Aminoimidazo[1,2-a]pyridine deriv. 10
CID 5330632
[2-(4-Methylphenyl)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
CID 3529980
Imidazo[1,2-a]pyridine-6-carboxylic acid, 2-(3-aminophenyl)-, methyl ester
CID 3845864
2,7-Dimethyl-3-{[(4-methylbenzoyl)oxy]ethanimidoyl}imidazo[1,2-a]pyridine
CID 5524230
Ethyl 8-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473604
Methyl 3-[2-(dipropylamino)-2-oxoethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxylate
CID 10739343

Frequently Asked Questions

What is the IUPAC name of methyl 3-benzyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 3-benzyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxylate (CID 51359438) is methyl 3-benzyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-benzyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-benzyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(-c3ccc(F)cc3)c(Cc3ccccc3)n2c1.
What is the InChIKey of methyl 3-benzyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is ZKRVHZSQHPJBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O2/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/h2-12,14H,13H2,1H3.
What are the key properties of methyl 3-benzyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxylate?
methyl 3-benzyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 360.39 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-benzyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 51359438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).