methyl 2-[[(2R)-2-acetamido-3-methylbutanoyl]oxymethyl]imidazo[1,2-a]pyridine-8-carboxylate

C17H21N3O5 — CID 95612525

IUPACmethyl 2-[[(2R)-2-acetamido-3-methylbutanoyl]oxymethyl]imidazo[1,2-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2cc(COC(=O)[C@H](NC(C)=O)C(C)C)nc12
InChIInChI=1S/C17H21N3O5/c1-10(2)14(18-11(3)21)17(23)25-9-12-8-20-7-5-6-13(15(20)19-12)16(22)24-4/h5-8,10,14H,9H2,1-4H3,(H,18,21)/t14-/m1/s1
InChIKeyQKXWRWIHDYMFDF-CQSZACIVSA-N
MW347.37 g/mol
LogP1.32
Rot. Bonds6

About methyl 2-[[(2R)-2-acetamido-3-methylbutanoyl]oxymethyl]imidazo[1,2-a]pyridine-8-carboxylate

methyl 2-[[(2R)-2-acetamido-3-methylbutanoyl]oxymethyl]imidazo[1,2-a]pyridine-8-carboxylate (PubChem CID 95612525) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is methyl 2-[[(2R)-2-acetamido-3-methylbutanoyl]oxymethyl]imidazo[1,2-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[(2R)-2-acetamido-3-methylbutanoyl]oxymethyl]imidazo[1,2-a]pyridine-8-carboxylate
PubChem CID95612525
Molecular FormulaC17H21N3O5
Molecular Weight347.37 g/mol
Exact Mass347.15
IUPAC Namemethyl 2-[[(2R)-2-acetamido-3-methylbutanoyl]oxymethyl]imidazo[1,2-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2cc(COC(=O)[C@H](NC(C)=O)C(C)C)nc12
InChIInChI=1S/C17H21N3O5/c1-10(2)14(18-11(3)21)17(23)25-9-12-8-20-7-5-6-13(15(20)19-12)16(22)24-4/h5-8,10,14H,9H2,1-4H3,(H,18,21)/t14-/m1/s1
InChIKeyQKXWRWIHDYMFDF-CQSZACIVSA-N
XLogP1.32
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[(2R)-2-acetamido-3-methylbutanoyl]oxymethyl]imidazo[1,2-a]pyridine-8-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

methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate
CID 117256766
methyl 2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate
CID 117256742
methyl 2-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-8-carboxylate
CID 117137405
methyl 2-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117137830
methyl 2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 56781581
2-ethylimidazo[1,2-a]pyridine-8-carboxylic acid
CID 67360702
methyl 2-(1-ethylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117136523
4-O-methyl 2-O-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 47015379
methyl 2-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117137725
(2S)-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]propanoic acid
CID 104876154
ethyl 2-(dichloromethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 59280012
methyl 2-thiophen-2-ylimidazo[1,2-a]pyridine-8-carboxylate
CID 117137140

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2R)-2-acetamido-3-methylbutanoyl]oxymethyl]imidazo[1,2-a]pyridine-8-carboxylate?
The IUPAC name of methyl 2-[[(2R)-2-acetamido-3-methylbutanoyl]oxymethyl]imidazo[1,2-a]pyridine-8-carboxylate (CID 95612525) is methyl 2-[[(2R)-2-acetamido-3-methylbutanoyl]oxymethyl]imidazo[1,2-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 2-[[(2R)-2-acetamido-3-methylbutanoyl]oxymethyl]imidazo[1,2-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 2-[[(2R)-2-acetamido-3-methylbutanoyl]oxymethyl]imidazo[1,2-a]pyridine-8-carboxylate is COC(=O)c1cccn2cc(COC(=O)[C@H](NC(C)=O)C(C)C)nc12.
What is the InChIKey of methyl 2-[[(2R)-2-acetamido-3-methylbutanoyl]oxymethyl]imidazo[1,2-a]pyridine-8-carboxylate?
The InChIKey is QKXWRWIHDYMFDF-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N3O5/c1-10(2)14(18-11(3)21)17(23)25-9-12-8-20-7-5-6-13(15(20)19-12)16(22)24-4/h5-8,10,14H,9H2,1-4H3,(H,18,21)/t14-/m1/s1.
What are the key properties of methyl 2-[[(2R)-2-acetamido-3-methylbutanoyl]oxymethyl]imidazo[1,2-a]pyridine-8-carboxylate?
methyl 2-[[(2R)-2-acetamido-3-methylbutanoyl]oxymethyl]imidazo[1,2-a]pyridine-8-carboxylate has a molecular weight of 347.37 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2R)-2-acetamido-3-methylbutanoyl]oxymethyl]imidazo[1,2-a]pyridine-8-carboxylate is sourced from PubChem (CID 95612525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).