methyl 4-(8-hydroxyimidazo[1,2-a]pyridin-3-yl)-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoate

C14H12F3N3O5 — CID 10784669

IUPACmethyl 4-(8-hydroxyimidazo[1,2-a]pyridin-3-yl)-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoate
SMILESCOC(=O)C(CC(=O)c1cnc2c(O)cccn12)NC(=O)C(F)(F)F
InChIInChI=1S/C14H12F3N3O5/c1-25-12(23)7(19-13(24)14(15,16)17)5-10(22)8-6-18-11-9(21)3-2-4-20(8)11/h2-4,6-7,21H,5H2,1H3,(H,19,24)
InChIKeyFXBVSHKWPBVQGJ-UHFFFAOYSA-N
MW359.26 g/mol
LogP0.83
Rot. Bonds5

About methyl 4-(8-hydroxyimidazo[1,2-a]pyridin-3-yl)-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoate

methyl 4-(8-hydroxyimidazo[1,2-a]pyridin-3-yl)-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoate (PubChem CID 10784669) has the molecular formula C14H12F3N3O5 and a molecular weight of 359.26 g/mol. Its IUPAC name is methyl 4-(8-hydroxyimidazo[1,2-a]pyridin-3-yl)-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-(8-hydroxyimidazo[1,2-a]pyridin-3-yl)-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoate
PubChem CID10784669
Molecular FormulaC14H12F3N3O5
Molecular Weight359.26 g/mol
Exact Mass359.07
IUPAC Namemethyl 4-(8-hydroxyimidazo[1,2-a]pyridin-3-yl)-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoate
SMILESCOC(=O)C(CC(=O)c1cnc2c(O)cccn12)NC(=O)C(F)(F)F
InChIInChI=1S/C14H12F3N3O5/c1-25-12(23)7(19-13(24)14(15,16)17)5-10(22)8-6-18-11-9(21)3-2-4-20(8)11/h2-4,6-7,21H,5H2,1H3,(H,19,24)
InChIKeyFXBVSHKWPBVQGJ-UHFFFAOYSA-N
XLogP0.83
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(8-hydroxyimidazo[1,2-a]pyridin-3-yl)-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoate?
The IUPAC name of methyl 4-(8-hydroxyimidazo[1,2-a]pyridin-3-yl)-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoate (CID 10784669) is methyl 4-(8-hydroxyimidazo[1,2-a]pyridin-3-yl)-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoate.
What is the SMILES notation for methyl 4-(8-hydroxyimidazo[1,2-a]pyridin-3-yl)-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoate?
The canonical SMILES for methyl 4-(8-hydroxyimidazo[1,2-a]pyridin-3-yl)-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoate is COC(=O)C(CC(=O)c1cnc2c(O)cccn12)NC(=O)C(F)(F)F.
What is the InChIKey of methyl 4-(8-hydroxyimidazo[1,2-a]pyridin-3-yl)-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoate?
The InChIKey is FXBVSHKWPBVQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O5/c1-25-12(23)7(19-13(24)14(15,16)17)5-10(22)8-6-18-11-9(21)3-2-4-20(8)11/h2-4,6-7,21H,5H2,1H3,(H,19,24).
What are the key properties of methyl 4-(8-hydroxyimidazo[1,2-a]pyridin-3-yl)-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoate?
methyl 4-(8-hydroxyimidazo[1,2-a]pyridin-3-yl)-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoate has a molecular weight of 359.26 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(8-hydroxyimidazo[1,2-a]pyridin-3-yl)-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoate is sourced from PubChem (CID 10784669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).