methyl 4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-oxobutanoate

C18H15FN2O3 — CID 11834371

IUPACmethyl 4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)c1c(-c2ccc(F)cc2)nc2ccccn12
InChIInChI=1S/C18H15FN2O3/c1-24-16(23)10-9-14(22)18-17(12-5-7-13(19)8-6-12)20-15-4-2-3-11-21(15)18/h2-8,11H,9-10H2,1H3
InChIKeyFWXLHPJJKOFADA-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.28
Rot. Bonds5

About methyl 4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-oxobutanoate

methyl 4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-oxobutanoate (PubChem CID 11834371) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is methyl 4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-oxobutanoate
PubChem CID11834371
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Namemethyl 4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)c1c(-c2ccc(F)cc2)nc2ccccn12
InChIInChI=1S/C18H15FN2O3/c1-24-16(23)10-9-14(22)18-17(12-5-7-13(19)8-6-12)20-15-4-2-3-11-21(15)18/h2-8,11H,9-10H2,1H3
InChIKeyFWXLHPJJKOFADA-UHFFFAOYSA-N
XLogP3.28
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-Amino-6-(2,6-Difluoro-Benzoyl)-Imidazo(1,2-a)Pyridin-3-Yl)-Phenyl-Methanone
CID 5289179
2-(4-Fluorophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 712408
Ethyl 2-(4-methylphenyl)-alpha-oxoimidazo(1,2-a)pyridine-3-acetate
CID 4962038
2-(4-Methylphenyl)imidazo(1,2-a)pyridine-3-carbaldehyde
CID 1096449
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
3-Formyl-2-phenylimidazo(1,2-a)pyridine
CID 820933
Aminoimidazo[1,2-a]pyridine deriv. 14
CID 5330614
Aminoimidazo[1,2-a]pyridine deriv. 25
CID 5330625
(2E)-3-{2-amino-3-[(2,6-difluorophenyl)carbonyl]imidazo[1,2-a]pyridin-6-yl}-3-(2,6-difluorophenyl)prop-2-enenitrile
CID 5330626
Aminoimidazo[1,2-a]pyridine deriv. 27
CID 5330642

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-oxobutanoate?
The IUPAC name of methyl 4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-oxobutanoate (CID 11834371) is methyl 4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-oxobutanoate.
What is the SMILES notation for methyl 4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-oxobutanoate?
The canonical SMILES for methyl 4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-oxobutanoate is COC(=O)CCC(=O)c1c(-c2ccc(F)cc2)nc2ccccn12.
What is the InChIKey of methyl 4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-oxobutanoate?
The InChIKey is FWXLHPJJKOFADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-24-16(23)10-9-14(22)18-17(12-5-7-13(19)8-6-12)20-15-4-2-3-11-21(15)18/h2-8,11H,9-10H2,1H3.
What are the key properties of methyl 4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-oxobutanoate?
methyl 4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-oxobutanoate has a molecular weight of 326.33 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-oxobutanoate is sourced from PubChem (CID 11834371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).