methyl 2-(1-ethylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-8-carboxylate

C15H19N3O2 — CID 117136523

IUPACmethyl 2-(1-ethylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-8-carboxylate
SMILESCCN1CCCC1c1cn2cccc(C(=O)OC)c2n1
InChIInChI=1S/C15H19N3O2/c1-3-17-8-5-7-13(17)12-10-18-9-4-6-11(14(18)16-12)15(19)20-2/h4,6,9-10,13H,3,5,7-8H2,1-2H3
InChIKeyAKUQQUQUEVNSKM-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.28
Rot. Bonds3

About methyl 2-(1-ethylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-8-carboxylate

methyl 2-(1-ethylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-8-carboxylate (PubChem CID 117136523) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is methyl 2-(1-ethylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-ethylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-8-carboxylate
PubChem CID117136523
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Namemethyl 2-(1-ethylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-8-carboxylate
SMILESCCN1CCCC1c1cn2cccc(C(=O)OC)c2n1
InChIInChI=1S/C15H19N3O2/c1-3-17-8-5-7-13(17)12-10-18-9-4-6-11(14(18)16-12)15(19)20-2/h4,6,9-10,13H,3,5,7-8H2,1-2H3
InChIKeyAKUQQUQUEVNSKM-UHFFFAOYSA-N
XLogP2.28
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-ethylpyrrolidin-2-yl)imidazo[1,2-a]pyridin-8-ol
CID 117136486
2-(1-ethylpiperidin-2-yl)-8-methylimidazo[1,2-a]pyridine
CID 117136613
2-(1-ethylpiperidin-2-yl)imidazo[1,2-a]pyridine-8-carbaldehyde
CID 117136566
methyl 2-(1-ethylpiperidin-2-yl)imidazo[1,2-a]pyridine-7-carboxylate
CID 117134360
methyl 2-piperidin-4-ylimidazo[1,2-a]pyridine-8-carboxylate
CID 117136001
methyl 2-(thiolan-3-yl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117135873
methyl 3-(1-ethylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-8-carboxylate
CID 117147526
methyl 2-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117137830
methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate
CID 117256766
2-(1-ethylpiperidin-2-yl)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 117134358
methyl 2-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117137725
methyl 2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate
CID 117256742

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-ethylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-8-carboxylate?
The IUPAC name of methyl 2-(1-ethylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-8-carboxylate (CID 117136523) is methyl 2-(1-ethylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 2-(1-ethylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 2-(1-ethylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-8-carboxylate is CCN1CCCC1c1cn2cccc(C(=O)OC)c2n1.
What is the InChIKey of methyl 2-(1-ethylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-8-carboxylate?
The InChIKey is AKUQQUQUEVNSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-17-8-5-7-13(17)12-10-18-9-4-6-11(14(18)16-12)15(19)20-2/h4,6,9-10,13H,3,5,7-8H2,1-2H3.
What are the key properties of methyl 2-(1-ethylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-8-carboxylate?
methyl 2-(1-ethylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-8-carboxylate has a molecular weight of 273.34 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-ethylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-8-carboxylate is sourced from PubChem (CID 117136523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).