methyl 2-[2-acetyl-5-[4-(ethenoxymethyl)-4-methylpiperidin-1-yl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-oxoacetate

C22H27N3O5 — CID 118642557

IUPACmethyl 2-[2-acetyl-5-[4-(ethenoxymethyl)-4-methylpiperidin-1-yl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-oxoacetate
SMILESC=COCC1(C)CCN(c2c(C(=O)C(=O)OC)c(C)cc3nc(C(C)=O)cn23)CC1
InChIInChI=1S/C22H27N3O5/c1-6-30-13-22(4)7-9-24(10-8-22)20-18(19(27)21(28)29-5)14(2)11-17-23-16(15(3)26)12-25(17)20/h6,11-12H,1,7-10,13H2,2-5H3
InChIKeyJZDKLLHBMIORGR-UHFFFAOYSA-N
MW413.47 g/mol
LogP2.97
Rot. Bonds7

About methyl 2-[2-acetyl-5-[4-(ethenoxymethyl)-4-methylpiperidin-1-yl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-oxoacetate

methyl 2-[2-acetyl-5-[4-(ethenoxymethyl)-4-methylpiperidin-1-yl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-oxoacetate (PubChem CID 118642557) has the molecular formula C22H27N3O5 and a molecular weight of 413.47 g/mol. Its IUPAC name is methyl 2-[2-acetyl-5-[4-(ethenoxymethyl)-4-methylpiperidin-1-yl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[2-acetyl-5-[4-(ethenoxymethyl)-4-methylpiperidin-1-yl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-oxoacetate
PubChem CID118642557
Molecular FormulaC22H27N3O5
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC Namemethyl 2-[2-acetyl-5-[4-(ethenoxymethyl)-4-methylpiperidin-1-yl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-oxoacetate
SMILESC=COCC1(C)CCN(c2c(C(=O)C(=O)OC)c(C)cc3nc(C(C)=O)cn23)CC1
InChIInChI=1S/C22H27N3O5/c1-6-30-13-22(4)7-9-24(10-8-22)20-18(19(27)21(28)29-5)14(2)11-17-23-16(15(3)26)12-25(17)20/h6,11-12H,1,7-10,13H2,2-5H3
InChIKeyJZDKLLHBMIORGR-UHFFFAOYSA-N
XLogP2.97
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze methyl 2-[2-acetyl-5-[4-(ethenoxymethyl)-4-methylpiperidin-1-yl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-oxoacetate with MolForge

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Related Compounds

methyl 2-[2-(3-bromophenyl)-7-methyl-5-(4-methyl-4-prop-2-enoxypiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-2-oxoacetate
CID 118308795
ethyl 5-(4-but-3-enyl-4-methylpiperidin-1-yl)-6-(1-hydroxy-2-methoxy-2-oxoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 118326393
ethyl 5-(4,4-dimethylpiperidin-1-yl)-6-(2-methoxy-2-oxoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 126627160
methyl (2S)-2-[2-(3-bromophenyl)-7-methyl-5-(4-methyl-4-prop-2-enoxypiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-2-hydroxyacetate
CID 118308883
2-[5-(4,4-dimethylpiperidin-1-yl)-2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 123619835
methyl (2S)-2-[4-(4-but-3-enyl-4-methylpiperidin-1-yl)-2-[hydroxy(methoxy)methyl]-6-methylpyrazolo[1,5-a]pyridin-5-yl]-2-hydroxyacetate
CID 126627453
5-[4-(methoxymethyl)-4-methylpiperidin-1-yl]imidazo[1,2-a]pyridin-6-amine
CID 156503822
[6-(4-ethyl-4-methylpiperidin-1-yl)-5-methyl-3-pyridinyl]methanol
CID 80628816
2-(4-ethyl-4-methylpiperidin-1-yl)-5-fluoropyridine-3-carboxylic acid
CID 114034455
2-(3-methoxy-3-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid
CID 107392995
methyl 2-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)amino]-2-oxoacetate
CID 141147647
1-[5-bromo-4-(4-methoxy-4-methylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]ethanone
CID 138497785

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-acetyl-5-[4-(ethenoxymethyl)-4-methylpiperidin-1-yl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-oxoacetate?
The IUPAC name of methyl 2-[2-acetyl-5-[4-(ethenoxymethyl)-4-methylpiperidin-1-yl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-oxoacetate (CID 118642557) is methyl 2-[2-acetyl-5-[4-(ethenoxymethyl)-4-methylpiperidin-1-yl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-oxoacetate.
What is the SMILES notation for methyl 2-[2-acetyl-5-[4-(ethenoxymethyl)-4-methylpiperidin-1-yl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-oxoacetate?
The canonical SMILES for methyl 2-[2-acetyl-5-[4-(ethenoxymethyl)-4-methylpiperidin-1-yl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-oxoacetate is C=COCC1(C)CCN(c2c(C(=O)C(=O)OC)c(C)cc3nc(C(C)=O)cn23)CC1.
What is the InChIKey of methyl 2-[2-acetyl-5-[4-(ethenoxymethyl)-4-methylpiperidin-1-yl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-oxoacetate?
The InChIKey is JZDKLLHBMIORGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5/c1-6-30-13-22(4)7-9-24(10-8-22)20-18(19(27)21(28)29-5)14(2)11-17-23-16(15(3)26)12-25(17)20/h6,11-12H,1,7-10,13H2,2-5H3.
What are the key properties of methyl 2-[2-acetyl-5-[4-(ethenoxymethyl)-4-methylpiperidin-1-yl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-oxoacetate?
methyl 2-[2-acetyl-5-[4-(ethenoxymethyl)-4-methylpiperidin-1-yl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-oxoacetate has a molecular weight of 413.47 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-acetyl-5-[4-(ethenoxymethyl)-4-methylpiperidin-1-yl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-oxoacetate is sourced from PubChem (CID 118642557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).