methyl 3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]butanoate

C16H23N3O2 — CID 101410649

IUPACmethyl 3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]butanoate
SMILESCOC(=O)CC(C)c1nc2ccccn2c1NC(C)(C)C
InChIInChI=1S/C16H23N3O2/c1-11(10-13(20)21-5)14-15(18-16(2,3)4)19-9-7-6-8-12(19)17-14/h6-9,11,18H,10H2,1-5H3
InChIKeyLHGRMRLFMFKQJE-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.21
Rot. Bonds4

About methyl 3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]butanoate

methyl 3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]butanoate (PubChem CID 101410649) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is methyl 3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]butanoate.

Molecular Properties

Compound Namemethyl 3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]butanoate
PubChem CID101410649
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Namemethyl 3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]butanoate
SMILESCOC(=O)CC(C)c1nc2ccccn2c1NC(C)(C)C
InChIInChI=1S/C16H23N3O2/c1-11(10-13(20)21-5)14-15(18-16(2,3)4)19-9-7-6-8-12(19)17-14/h6-9,11,18H,10H2,1-5H3
InChIKeyLHGRMRLFMFKQJE-UHFFFAOYSA-N
XLogP3.21
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]butanoate 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

ethyl 2-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)amino]acetate
CID 42738235
methyl N-(2-methylimidazo[1,2-a]pyridin-3-yl)carbamate
CID 83832700
methyl 4-amino-3-imidazo[1,2-a]pyridin-2-ylpentanoate
CID 66098741
2-anthracen-9-yl-N-tert-butylimidazo[1,2-a]pyridin-3-amine
CID 71461760
2-chloro-N-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 42693936
2-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 858000
methyl (3S)-3-(4-chlorophenyl)-3-(2-hydroxy-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanoate
CID 136676684
methyl (3R)-3-(2-fluorophenyl)-3-(2-hydroxy-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanoate
CID 136676762
N-[1-(4-methoxyphenyl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 56698718
methyl 3-cyclohexyl-3-(2-hydroxy-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanoate
CID 135636542
N-tert-butyl-2-(3-chlorophenyl)imidazo[1,2-a]pyridin-3-amine
CID 809106
N-tert-butyl-2-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-amine
CID 138535998

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]butanoate?
The IUPAC name of methyl 3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]butanoate (CID 101410649) is methyl 3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]butanoate.
What is the SMILES notation for methyl 3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]butanoate?
The canonical SMILES for methyl 3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]butanoate is COC(=O)CC(C)c1nc2ccccn2c1NC(C)(C)C.
What is the InChIKey of methyl 3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]butanoate?
The InChIKey is LHGRMRLFMFKQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(10-13(20)21-5)14-15(18-16(2,3)4)19-9-7-6-8-12(19)17-14/h6-9,11,18H,10H2,1-5H3.
What are the key properties of methyl 3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]butanoate?
methyl 3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]butanoate has a molecular weight of 289.38 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]butanoate is sourced from PubChem (CID 101410649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).