2-[5-[[imidazo[1,2-a]pyridin-3-ylmethyl(methyl)amino]methyl]-2-methoxyphenoxy]-1-pyrrolidin-1-ylethanone

C23H28N4O3 — CID 172662427

IUPAC2-[5-[[imidazo[1,2-a]pyridin-3-ylmethyl(methyl)amino]methyl]-2-methoxyphenoxy]-1-pyrrolidin-1-ylethanone
SMILESCOc1ccc(CN(C)Cc2cnc3ccccn23)cc1OCC(=O)N1CCCC1
InChIInChI=1S/C23H28N4O3/c1-25(16-19-14-24-22-7-3-4-12-27(19)22)15-18-8-9-20(29-2)21(13-18)30-17-23(28)26-10-5-6-11-26/h3-4,7-9,12-14H,5-6,10-11,15-17H2,1-2H3
InChIKeyVAIYSDZITYVPNR-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.98
Rot. Bonds8

About 2-[5-[[imidazo[1,2-a]pyridin-3-ylmethyl(methyl)amino]methyl]-2-methoxyphenoxy]-1-pyrrolidin-1-ylethanone

2-[5-[[imidazo[1,2-a]pyridin-3-ylmethyl(methyl)amino]methyl]-2-methoxyphenoxy]-1-pyrrolidin-1-ylethanone (PubChem CID 172662427) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-[5-[[imidazo[1,2-a]pyridin-3-ylmethyl(methyl)amino]methyl]-2-methoxyphenoxy]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[5-[[imidazo[1,2-a]pyridin-3-ylmethyl(methyl)amino]methyl]-2-methoxyphenoxy]-1-pyrrolidin-1-ylethanone
PubChem CID172662427
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name2-[5-[[imidazo[1,2-a]pyridin-3-ylmethyl(methyl)amino]methyl]-2-methoxyphenoxy]-1-pyrrolidin-1-ylethanone
SMILESCOc1ccc(CN(C)Cc2cnc3ccccn23)cc1OCC(=O)N1CCCC1
InChIInChI=1S/C23H28N4O3/c1-25(16-19-14-24-22-7-3-4-12-27(19)22)15-18-8-9-20(29-2)21(13-18)30-17-23(28)26-10-5-6-11-26/h3-4,7-9,12-14H,5-6,10-11,15-17H2,1-2H3
InChIKeyVAIYSDZITYVPNR-UHFFFAOYSA-N
XLogP2.98
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[5-[[imidazo[1,2-a]pyridin-3-ylmethyl(methyl)amino]methyl]-2-methoxyphenoxy]-1-pyrrolidin-1-ylethanone with MolForge

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Related Compounds

1-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 90571811
3-[(3,4-dimethoxyphenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one
CID 47027251
2-[2-ethoxy-4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone
CID 46612910
1-[4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 110399292
1-[4-[2-(2-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 108546426
2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 51250244
2-[2-methoxy-4-[(thiophen-2-ylmethylamino)methyl]phenoxy]-1-piperidin-1-ylethanone
CID 2991415
2-[5-(aminomethyl)-2-methoxyphenoxy]-1-(4-benzylpiperidin-1-yl)ethanone
CID 139677549
2-(4-amino-2-methoxyphenoxy)-1-(azepan-1-yl)ethanone
CID 62110109
2-[4-(aminomethyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 28967218
2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethanol;hydrochloride
CID 2963067
N-benzyl-3-ethoxy-N-methyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 29260956

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[imidazo[1,2-a]pyridin-3-ylmethyl(methyl)amino]methyl]-2-methoxyphenoxy]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[5-[[imidazo[1,2-a]pyridin-3-ylmethyl(methyl)amino]methyl]-2-methoxyphenoxy]-1-pyrrolidin-1-ylethanone (CID 172662427) is 2-[5-[[imidazo[1,2-a]pyridin-3-ylmethyl(methyl)amino]methyl]-2-methoxyphenoxy]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[5-[[imidazo[1,2-a]pyridin-3-ylmethyl(methyl)amino]methyl]-2-methoxyphenoxy]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[5-[[imidazo[1,2-a]pyridin-3-ylmethyl(methyl)amino]methyl]-2-methoxyphenoxy]-1-pyrrolidin-1-ylethanone is COc1ccc(CN(C)Cc2cnc3ccccn23)cc1OCC(=O)N1CCCC1.
What is the InChIKey of 2-[5-[[imidazo[1,2-a]pyridin-3-ylmethyl(methyl)amino]methyl]-2-methoxyphenoxy]-1-pyrrolidin-1-ylethanone?
The InChIKey is VAIYSDZITYVPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-25(16-19-14-24-22-7-3-4-12-27(19)22)15-18-8-9-20(29-2)21(13-18)30-17-23(28)26-10-5-6-11-26/h3-4,7-9,12-14H,5-6,10-11,15-17H2,1-2H3.
What are the key properties of 2-[5-[[imidazo[1,2-a]pyridin-3-ylmethyl(methyl)amino]methyl]-2-methoxyphenoxy]-1-pyrrolidin-1-ylethanone?
2-[5-[[imidazo[1,2-a]pyridin-3-ylmethyl(methyl)amino]methyl]-2-methoxyphenoxy]-1-pyrrolidin-1-ylethanone has a molecular weight of 408.50 g/mol, XLogP of 2.98, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[imidazo[1,2-a]pyridin-3-ylmethyl(methyl)amino]methyl]-2-methoxyphenoxy]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 172662427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).