ethyl 2-(4-fluoroanilino)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate

C23H20FN3O2 — CID 138983171

IUPACethyl 2-(4-fluoroanilino)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate
SMILESCCOC(=O)C(Nc1ccc(F)cc1)c1c(-c2ccccc2)nc2ccccn12
InChIInChI=1S/C23H20FN3O2/c1-2-29-23(28)21(25-18-13-11-17(24)12-14-18)22-20(16-8-4-3-5-9-16)26-19-10-6-7-15-27(19)22/h3-15,21,25H,2H2,1H3
InChIKeyMRFJDBZAXGIKKK-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.86
Rot. Bonds6

About ethyl 2-(4-fluoroanilino)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate

ethyl 2-(4-fluoroanilino)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate (PubChem CID 138983171) has the molecular formula C23H20FN3O2 and a molecular weight of 389.43 g/mol. Its IUPAC name is ethyl 2-(4-fluoroanilino)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-fluoroanilino)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate
PubChem CID138983171
Molecular FormulaC23H20FN3O2
Molecular Weight389.43 g/mol
Exact Mass389.15
IUPAC Nameethyl 2-(4-fluoroanilino)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate
SMILESCCOC(=O)C(Nc1ccc(F)cc1)c1c(-c2ccccc2)nc2ccccn12
InChIInChI=1S/C23H20FN3O2/c1-2-29-23(28)21(25-18-13-11-17(24)12-14-18)22-20(16-8-4-3-5-9-16)26-19-10-6-7-15-27(19)22/h3-15,21,25H,2H2,1H3
InChIKeyMRFJDBZAXGIKKK-UHFFFAOYSA-N
XLogP4.86
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(3-methylanilino)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate
CID 138982849
ethyl (2S)-2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetate
CID 155935522
ethyl 2-(4-fluoroanilino)-2-(2-fluorophenyl)acetate
CID 60992471
methyl 2-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 11807750
1-(4-methylphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea
CID 4825752
N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-2-methoxyacetamide
CID 42694150
benzyl N-[1-(2-phenylimidazo[1,2-a]pyridin-3-yl)hexyl]carbamate
CID 142744379
3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methoxyphenyl)propanamide
CID 53118530
N-(4-ethylphenyl)-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 53036519
ethyl 2-benzamido-2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate
CID 10479731
ethyl 4-[(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]benzoate
CID 50847843
N-(2-phenylimidazo[1,2-a]pyridin-3-yl)pentanamide
CID 3828486

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-fluoroanilino)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate?
The IUPAC name of ethyl 2-(4-fluoroanilino)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate (CID 138983171) is ethyl 2-(4-fluoroanilino)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(4-fluoroanilino)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate?
The canonical SMILES for ethyl 2-(4-fluoroanilino)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate is CCOC(=O)C(Nc1ccc(F)cc1)c1c(-c2ccccc2)nc2ccccn12.
What is the InChIKey of ethyl 2-(4-fluoroanilino)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate?
The InChIKey is MRFJDBZAXGIKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2/c1-2-29-23(28)21(25-18-13-11-17(24)12-14-18)22-20(16-8-4-3-5-9-16)26-19-10-6-7-15-27(19)22/h3-15,21,25H,2H2,1H3.
What are the key properties of ethyl 2-(4-fluoroanilino)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate?
ethyl 2-(4-fluoroanilino)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate has a molecular weight of 389.43 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluoroanilino)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate is sourced from PubChem (CID 138983171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).