7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridine-3-carboxylate

C22H20F4N4O6 — CID 161088998

IUPAC7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(OCC(F)F)ccn12.O=C(O)c1cnc2cc(OCC(F)F)ccn12
InChIInChI=1S/C12H12F2N2O3.C10H8F2N2O3/c1-2-18-12(17)9-6-15-11-5-8(3-4-16(9)11)19-7-10(13)14;11-8(12)5-17-6-1-2-14-7(10(15)16)4-13-9(14)3-6/h3-6,10H,2,7H2,1H3;1-4,8H,5H2,(H,15,16)
InChIKeyUGXLZWJQLGXBTR-UHFFFAOYSA-N
MW512.42 g/mol
LogP3.83
Rot. Bonds9

About 7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridine-3-carboxylate

7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 161088998) has the molecular formula C22H20F4N4O6 and a molecular weight of 512.42 g/mol. Its IUPAC name is 7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Name7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridine-3-carboxylate
PubChem CID161088998
Molecular FormulaC22H20F4N4O6
Molecular Weight512.42 g/mol
Exact Mass512.13
IUPAC Name7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(OCC(F)F)ccn12.O=C(O)c1cnc2cc(OCC(F)F)ccn12
InChIInChI=1S/C12H12F2N2O3.C10H8F2N2O3/c1-2-18-12(17)9-6-15-11-5-8(3-4-16(9)11)19-7-10(13)14;11-8(12)5-17-6-1-2-14-7(10(15)16)4-13-9(14)3-6/h3-6,10H,2,7H2,1H3;1-4,8H,5H2,(H,15,16)
InChIKeyUGXLZWJQLGXBTR-UHFFFAOYSA-N
XLogP3.83
TPSA116.66 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 7-fluoroimidazo[1,2-a]pyridine-3-carboxylate
CID 67259301
ethyl 7-[3-(4-fluoro-4-methylpiperidin-1-yl)propoxy]imidazo[1,2-a]pyridine-3-carboxylate
CID 178051681
ethyl 7-[2-(3,4-dimethylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxylate
CID 123846928
ethyl 7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxylate
CID 145001485
ethyl 7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxylate;methanol
CID 178051371
ethyl 7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxylate
CID 130229964
(4-aminophenyl)-(7-ethoxyimidazo[1,2-a]pyridin-3-yl)methanone
CID 169097375
ethyl 7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate
CID 170316332
ethane;ethyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxylate
CID 178093156
ethyl 6-(2,2-difluoroethoxy)pyridine-3-carboxylate
CID 103866910
3-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid
CID 59588419
ethyl 6-iodoimidazo[1,2-a]pyridine-3-carboxylate
CID 69203579

Frequently Asked Questions

What is the IUPAC name of 7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of 7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridine-3-carboxylate (CID 161088998) is 7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for 7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for 7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1cnc2cc(OCC(F)F)ccn12.O=C(O)c1cnc2cc(OCC(F)F)ccn12.
What is the InChIKey of 7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is UGXLZWJQLGXBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O3.C10H8F2N2O3/c1-2-18-12(17)9-6-15-11-5-8(3-4-16(9)11)19-7-10(13)14;11-8(12)5-17-6-1-2-14-7(10(15)16)4-13-9(14)3-6/h3-6,10H,2,7H2,1H3;1-4,8H,5H2,(H,15,16).
What are the key properties of 7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridine-3-carboxylate?
7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 512.42 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 161088998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).