ethyl 7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxylate

C14H17N3O2 — CID 145001485

IUPACethyl 7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(N3CCCC3)ccn12
InChIInChI=1S/C14H17N3O2/c1-2-19-14(18)12-10-15-13-9-11(5-8-17(12)13)16-6-3-4-7-16/h5,8-10H,2-4,6-7H2,1H3
InChIKeyLVSOHECRCOKCNO-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.11
Rot. Bonds3

About ethyl 7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxylate

ethyl 7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 145001485) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is ethyl 7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxylate
PubChem CID145001485
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Nameethyl 7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(N3CCCC3)ccn12
InChIInChI=1S/C14H17N3O2/c1-2-19-14(18)12-10-15-13-9-11(5-8-17(12)13)16-6-3-4-7-16/h5,8-10H,2-4,6-7H2,1H3
InChIKeyLVSOHECRCOKCNO-UHFFFAOYSA-N
XLogP2.11
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
ethyl 7-fluoroimidazo[1,2-a]pyridine-3-carboxylate
CID 67259301
ethyl 7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxylate
CID 130229964
ethane;ethyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxylate
CID 178093156
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-[2-(3,4-dimethylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxylate
CID 123846928
ethyl 7-[3-(4-fluoro-4-methylpiperidin-1-yl)propoxy]imidazo[1,2-a]pyridine-3-carboxylate
CID 178051681
7-piperidin-1-ylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 83893652
ethyl 6-iodoimidazo[1,2-a]pyridine-3-carboxylate
CID 69203579
ethyl 4-chloro-6-pyrrolidin-1-ylquinoline-3-carboxylate
CID 63180358
ethyl 1H-imidazo[1,2-a]imidazole-5-carboxylate
CID 177179793

Frequently Asked Questions

What is the IUPAC name of ethyl 7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxylate (CID 145001485) is ethyl 7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1cnc2cc(N3CCCC3)ccn12.
What is the InChIKey of ethyl 7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is LVSOHECRCOKCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-19-14(18)12-10-15-13-9-11(5-8-17(12)13)16-6-3-4-7-16/h5,8-10H,2-4,6-7H2,1H3.
What are the key properties of ethyl 7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxylate?
ethyl 7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 145001485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).