butyl imidazo[1,2-a]pyridine-2-carboxylate

C12H14N2O2 — CID 112724658

IUPACbutyl imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCCCOC(=O)c1cn2ccccc2n1
InChIInChI=1S/C12H14N2O2/c1-2-3-8-16-12(15)10-9-14-7-5-4-6-11(14)13-10/h4-7,9H,2-3,8H2,1H3
InChIKeyIZIANXDYXHDWFX-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.29
Rot. Bonds4

About butyl imidazo[1,2-a]pyridine-2-carboxylate

butyl imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 112724658) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is butyl imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Namebutyl imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID112724658
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Namebutyl imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCCCOC(=O)c1cn2ccccc2n1
InChIInChI=1S/C12H14N2O2/c1-2-3-8-16-12(15)10-9-14-7-5-4-6-11(14)13-10/h4-7,9H,2-3,8H2,1H3
InChIKeyIZIANXDYXHDWFX-UHFFFAOYSA-N
XLogP2.29
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze butyl imidazo[1,2-a]pyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butyl 4-(imidazo[1,2-a]pyridin-2-ylmethylamino)benzoate
CID 78815706
1-imidazo[1,2-a]pyridin-2-ylethanone
CID 11194486
(4-tert-butylphenyl)methyl imidazo[1,2-a]pyridine-2-carboxylate
CID 7246887
naphthalen-1-ylmethyl imidazo[1,2-a]pyridine-2-carboxylate
CID 7246898
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7594690
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7226254
2-O-butyl 6-O-dodecyl pyridine-2,6-dicarboxylate
CID 91735947
ethyl pyrrolo[2,1-c][1,2,4]triazine-3-carboxylate
CID 170452736
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7226358
butyl 4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
CID 113222289
dibutyl benzene-1,2-dicarboxylate
CID 69108201
6-O-decyl 2-O-nonyl pyridine-2,6-dicarboxylate
CID 91725154

Frequently Asked Questions

What is the IUPAC name of butyl imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of butyl imidazo[1,2-a]pyridine-2-carboxylate (CID 112724658) is butyl imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for butyl imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for butyl imidazo[1,2-a]pyridine-2-carboxylate is CCCCOC(=O)c1cn2ccccc2n1.
What is the InChIKey of butyl imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is IZIANXDYXHDWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-2-3-8-16-12(15)10-9-14-7-5-4-6-11(14)13-10/h4-7,9H,2-3,8H2,1H3.
What are the key properties of butyl imidazo[1,2-a]pyridine-2-carboxylate?
butyl imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 218.26 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 112724658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).