3-ethyl-8-fluoro-7-(2-fluoro-4-methylanilino)imidazo[1,2-a]pyridine-6-carboxylic acid

C17H15F2N3O2 — CID 21111540

IUPAC3-ethyl-8-fluoro-7-(2-fluoro-4-methylanilino)imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCCc1cnc2c(F)c(Nc3ccc(C)cc3F)c(C(=O)O)cn12
InChIInChI=1S/C17H15F2N3O2/c1-3-10-7-20-16-14(19)15(11(17(23)24)8-22(10)16)21-13-5-4-9(2)6-12(13)18/h4-8,21H,3H2,1-2H3,(H,23,24)
InChIKeyUCURQQHTCOXQLS-UHFFFAOYSA-N
MW331.32 g/mol
LogP3.93
Rot. Bonds4

About 3-ethyl-8-fluoro-7-(2-fluoro-4-methylanilino)imidazo[1,2-a]pyridine-6-carboxylic acid

3-ethyl-8-fluoro-7-(2-fluoro-4-methylanilino)imidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 21111540) has the molecular formula C17H15F2N3O2 and a molecular weight of 331.32 g/mol. Its IUPAC name is 3-ethyl-8-fluoro-7-(2-fluoro-4-methylanilino)imidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-8-fluoro-7-(2-fluoro-4-methylanilino)imidazo[1,2-a]pyridine-6-carboxylic acid
PubChem CID21111540
Molecular FormulaC17H15F2N3O2
Molecular Weight331.32 g/mol
Exact Mass331.11
IUPAC Name3-ethyl-8-fluoro-7-(2-fluoro-4-methylanilino)imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCCc1cnc2c(F)c(Nc3ccc(C)cc3F)c(C(=O)O)cn12
InChIInChI=1S/C17H15F2N3O2/c1-3-10-7-20-16-14(19)15(11(17(23)24)8-22(10)16)21-13-5-4-9(2)6-12(13)18/h4-8,21H,3H2,1-2H3,(H,23,24)
InChIKeyUCURQQHTCOXQLS-UHFFFAOYSA-N
XLogP3.93
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-fluoro-7-(2-fluoro-4-methylanilino)imidazo[1,2-a]pyridine-6-carboxylic acid?
The IUPAC name of 3-ethyl-8-fluoro-7-(2-fluoro-4-methylanilino)imidazo[1,2-a]pyridine-6-carboxylic acid (CID 21111540) is 3-ethyl-8-fluoro-7-(2-fluoro-4-methylanilino)imidazo[1,2-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-ethyl-8-fluoro-7-(2-fluoro-4-methylanilino)imidazo[1,2-a]pyridine-6-carboxylic acid?
The canonical SMILES for 3-ethyl-8-fluoro-7-(2-fluoro-4-methylanilino)imidazo[1,2-a]pyridine-6-carboxylic acid is CCc1cnc2c(F)c(Nc3ccc(C)cc3F)c(C(=O)O)cn12.
What is the InChIKey of 3-ethyl-8-fluoro-7-(2-fluoro-4-methylanilino)imidazo[1,2-a]pyridine-6-carboxylic acid?
The InChIKey is UCURQQHTCOXQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O2/c1-3-10-7-20-16-14(19)15(11(17(23)24)8-22(10)16)21-13-5-4-9(2)6-12(13)18/h4-8,21H,3H2,1-2H3,(H,23,24).
What are the key properties of 3-ethyl-8-fluoro-7-(2-fluoro-4-methylanilino)imidazo[1,2-a]pyridine-6-carboxylic acid?
3-ethyl-8-fluoro-7-(2-fluoro-4-methylanilino)imidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 331.32 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-fluoro-7-(2-fluoro-4-methylanilino)imidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 21111540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).