ethyl 1-[(3-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-3-carboxylate

C16H19BrClN3O2 — CID 16807449

IUPACethyl 1-[(3-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(Cc2nc3ccc(Cl)cn3c2Br)C1
InChIInChI=1S/C16H19BrClN3O2/c1-2-23-16(22)11-4-3-7-20(8-11)10-13-15(17)21-9-12(18)5-6-14(21)19-13/h5-6,9,11H,2-4,7-8,10H2,1H3
InChIKeyHDMXXZNCPIGDCK-UHFFFAOYSA-N
MW400.70 g/mol
LogP3.53
Rot. Bonds4

About ethyl 1-[(3-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-3-carboxylate

ethyl 1-[(3-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-3-carboxylate (PubChem CID 16807449) has the molecular formula C16H19BrClN3O2 and a molecular weight of 400.70 g/mol. Its IUPAC name is ethyl 1-[(3-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(3-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-3-carboxylate
PubChem CID16807449
Molecular FormulaC16H19BrClN3O2
Molecular Weight400.70 g/mol
Exact Mass399.03
IUPAC Nameethyl 1-[(3-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(Cc2nc3ccc(Cl)cn3c2Br)C1
InChIInChI=1S/C16H19BrClN3O2/c1-2-23-16(22)11-4-3-7-20(8-11)10-13-15(17)21-9-12(18)5-6-14(21)19-13/h5-6,9,11H,2-4,7-8,10H2,1H3
InChIKeyHDMXXZNCPIGDCK-UHFFFAOYSA-N
XLogP3.53
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.70
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[(4-chlorophenyl)methyl]piperidine-3-carboxylate
CID 2838484
ethyl (3R)-1-[(2,6-dichloro-3-pyridinyl)methyl]piperidine-3-carboxylate
CID 106995037
ethyl (3S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperidine-3-carboxylate
CID 31405483
ethyl (3S)-1-[(5-chlorothiophen-2-yl)methyl]piperidine-3-carboxylate
CID 81339175
ethyl 1-[(5-bromothiophen-2-yl)methyl]piperidine-3-carboxylate
CID 2838657
ethyl 1-(naphthalen-1-ylmethyl)piperidine-3-carboxylate
CID 2838593
ethyl (3S)-1-[(3-bromo-2,6-difluorophenyl)methyl]piperidine-3-carboxylate
CID 106270387
ethyl (3R)-1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperidine-3-carboxylate
CID 41244131
ethyl (3R)-1-[(4-hydroxyphenyl)methyl]piperidine-3-carboxylate
CID 764762
ethyl (3S)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-3-carboxylate
CID 81339167
ethyl (3S)-1-[(5-bromo-1,3-thiazol-2-yl)methyl]piperidine-3-carboxylate
CID 129350627
ethyl (3R)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-3-carboxylate
CID 81361290

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(3-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[(3-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-3-carboxylate (CID 16807449) is ethyl 1-[(3-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[(3-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[(3-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(Cc2nc3ccc(Cl)cn3c2Br)C1.
What is the InChIKey of ethyl 1-[(3-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-3-carboxylate?
The InChIKey is HDMXXZNCPIGDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrClN3O2/c1-2-23-16(22)11-4-3-7-20(8-11)10-13-15(17)21-9-12(18)5-6-14(21)19-13/h5-6,9,11H,2-4,7-8,10H2,1H3.
What are the key properties of ethyl 1-[(3-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-3-carboxylate?
ethyl 1-[(3-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-3-carboxylate has a molecular weight of 400.70 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(3-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-3-carboxylate is sourced from PubChem (CID 16807449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).