ethyl 7-[3-(4-fluoro-4-methylpiperidin-1-yl)propoxy]imidazo[1,2-a]pyridine-3-carboxylate

C19H26FN3O3 — CID 178051681

IUPACethyl 7-[3-(4-fluoro-4-methylpiperidin-1-yl)propoxy]imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(OCCCN3CCC(C)(F)CC3)ccn12
InChIInChI=1S/C19H26FN3O3/c1-3-25-18(24)16-14-21-17-13-15(5-9-23(16)17)26-12-4-8-22-10-6-19(2,20)7-11-22/h5,9,13-14H,3-4,6-8,10-12H2,1-2H3
InChIKeyTUPOWGFJKUYLPA-UHFFFAOYSA-N
MW363.43 g/mol
LogP3.10
Rot. Bonds7

About ethyl 7-[3-(4-fluoro-4-methylpiperidin-1-yl)propoxy]imidazo[1,2-a]pyridine-3-carboxylate

ethyl 7-[3-(4-fluoro-4-methylpiperidin-1-yl)propoxy]imidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 178051681) has the molecular formula C19H26FN3O3 and a molecular weight of 363.43 g/mol. Its IUPAC name is ethyl 7-[3-(4-fluoro-4-methylpiperidin-1-yl)propoxy]imidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-[3-(4-fluoro-4-methylpiperidin-1-yl)propoxy]imidazo[1,2-a]pyridine-3-carboxylate
PubChem CID178051681
Molecular FormulaC19H26FN3O3
Molecular Weight363.43 g/mol
Exact Mass363.20
IUPAC Nameethyl 7-[3-(4-fluoro-4-methylpiperidin-1-yl)propoxy]imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(OCCCN3CCC(C)(F)CC3)ccn12
InChIInChI=1S/C19H26FN3O3/c1-3-25-18(24)16-14-21-17-13-15(5-9-23(16)17)26-12-4-8-22-10-6-19(2,20)7-11-22/h5,9,13-14H,3-4,6-8,10-12H2,1-2H3
InChIKeyTUPOWGFJKUYLPA-UHFFFAOYSA-N
XLogP3.10
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 7-[2-(3,4-dimethylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxylate
CID 123846928
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
ethyl 7-fluoroimidazo[1,2-a]pyridine-3-carboxylate
CID 67259301
7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 67252366
ethyl 7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxylate
CID 145001485
ethane;ethyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxylate
CID 178093156
lithium 7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxylate
CID 67252742
ethyl 7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxylate
CID 130229964
ethyl 1-[3-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]-4-fluoropiperidine-4-carboxylate
CID 146273244
ethyl 7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxylate;methanol
CID 178051371
ethyl 7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate
CID 170316332
1-[3-[3-[4-(2-cyclopropylacetyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]-4-fluoropiperidine-4-carboxamide
CID 167681650

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[3-(4-fluoro-4-methylpiperidin-1-yl)propoxy]imidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 7-[3-(4-fluoro-4-methylpiperidin-1-yl)propoxy]imidazo[1,2-a]pyridine-3-carboxylate (CID 178051681) is ethyl 7-[3-(4-fluoro-4-methylpiperidin-1-yl)propoxy]imidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-[3-(4-fluoro-4-methylpiperidin-1-yl)propoxy]imidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 7-[3-(4-fluoro-4-methylpiperidin-1-yl)propoxy]imidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1cnc2cc(OCCCN3CCC(C)(F)CC3)ccn12.
What is the InChIKey of ethyl 7-[3-(4-fluoro-4-methylpiperidin-1-yl)propoxy]imidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is TUPOWGFJKUYLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O3/c1-3-25-18(24)16-14-21-17-13-15(5-9-23(16)17)26-12-4-8-22-10-6-19(2,20)7-11-22/h5,9,13-14H,3-4,6-8,10-12H2,1-2H3.
What are the key properties of ethyl 7-[3-(4-fluoro-4-methylpiperidin-1-yl)propoxy]imidazo[1,2-a]pyridine-3-carboxylate?
ethyl 7-[3-(4-fluoro-4-methylpiperidin-1-yl)propoxy]imidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 363.43 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[3-(4-fluoro-4-methylpiperidin-1-yl)propoxy]imidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 178051681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).