ethyl 4-[3-(1,3-benzodioxol-5-yl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperazine-1-carboxylate

C24H26N4O5 — CID 42782057

IUPACethyl 4-[3-(1,3-benzodioxol-5-yl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CC(c2ccc3c(c2)OCO3)c2cnc3ccccn23)CC1
InChIInChI=1S/C24H26N4O5/c1-2-31-24(30)27-11-9-26(10-12-27)23(29)14-18(17-6-7-20-21(13-17)33-16-32-20)19-15-25-22-5-3-4-8-28(19)22/h3-8,13,15,18H,2,9-12,14,16H2,1H3
InChIKeyWGBMWTHRIJFYOW-UHFFFAOYSA-N
MW450.50 g/mol
LogP2.89
Rot. Bonds5

About ethyl 4-[3-(1,3-benzodioxol-5-yl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperazine-1-carboxylate

ethyl 4-[3-(1,3-benzodioxol-5-yl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperazine-1-carboxylate (PubChem CID 42782057) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is ethyl 4-[3-(1,3-benzodioxol-5-yl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(1,3-benzodioxol-5-yl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperazine-1-carboxylate
PubChem CID42782057
Molecular FormulaC24H26N4O5
Molecular Weight450.50 g/mol
Exact Mass450.19
IUPAC Nameethyl 4-[3-(1,3-benzodioxol-5-yl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CC(c2ccc3c(c2)OCO3)c2cnc3ccccn23)CC1
InChIInChI=1S/C24H26N4O5/c1-2-31-24(30)27-11-9-26(10-12-27)23(29)14-18(17-6-7-20-21(13-17)33-16-32-20)19-15-25-22-5-3-4-8-28(19)22/h3-8,13,15,18H,2,9-12,14,16H2,1H3
InChIKeyWGBMWTHRIJFYOW-UHFFFAOYSA-N
XLogP2.89
TPSA85.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[3-(1,3-benzodioxol-5-yl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperazine-1-carboxylate with MolForge

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Related Compounds

ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperidine-4-carboxylate
CID 42782067
ethyl 4-[3-(3-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperazine-1-carboxylate
CID 42782100
3-(1,3-benzodioxol-5-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-imidazo[1,2-a]pyridin-3-ylpropan-1-one
CID 4171526
3-(1,3-benzodioxol-5-yl)-3-imidazo[1,2-a]pyridin-3-yl-N,N-dipropylpropanamide
CID 4150123
ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propanoyl]piperidine-4-carboxylate
CID 42782887
ethyl 4-[(3R)-3-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)propanoyl]piperazine-1-carboxylate
CID 93122139
1-(4-benzhydrylpiperazin-1-yl)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropan-1-one
CID 5058665
3-(1,3-benzodioxol-5-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one
CID 42783800
3-(1,3-benzodioxol-5-yl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 45197792
(3R)-1-(azepan-1-yl)-3-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-one
CID 26333026
ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-(1-methylindol-3-yl)propanoyl]piperidine-4-carboxylate
CID 42802945
ethyl 4-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]piperazine-1-carboxylate
CID 110297519

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(1,3-benzodioxol-5-yl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(1,3-benzodioxol-5-yl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperazine-1-carboxylate (CID 42782057) is ethyl 4-[3-(1,3-benzodioxol-5-yl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(1,3-benzodioxol-5-yl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(1,3-benzodioxol-5-yl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CC(c2ccc3c(c2)OCO3)c2cnc3ccccn23)CC1.
What is the InChIKey of ethyl 4-[3-(1,3-benzodioxol-5-yl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperazine-1-carboxylate?
The InChIKey is WGBMWTHRIJFYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5/c1-2-31-24(30)27-11-9-26(10-12-27)23(29)14-18(17-6-7-20-21(13-17)33-16-32-20)19-15-25-22-5-3-4-8-28(19)22/h3-8,13,15,18H,2,9-12,14,16H2,1H3.
What are the key properties of ethyl 4-[3-(1,3-benzodioxol-5-yl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperazine-1-carboxylate?
ethyl 4-[3-(1,3-benzodioxol-5-yl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperazine-1-carboxylate has a molecular weight of 450.50 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(1,3-benzodioxol-5-yl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 42782057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).