ethyl 4-[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]piperidine-1-carboxylate

C20H23BrN6O2 — CID 11385612

IUPACethyl 4-[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(c2cn3c(Br)cnc3c(NCc3cccnc3)n2)CC1
InChIInChI=1S/C20H23BrN6O2/c1-2-29-20(28)26-8-5-15(6-9-26)16-13-27-17(21)12-24-19(27)18(25-16)23-11-14-4-3-7-22-10-14/h3-4,7,10,12-13,15H,2,5-6,8-9,11H2,1H3,(H,23,25)
InChIKeyMGOVWIHHXPLVGU-UHFFFAOYSA-N
MW459.35 g/mol
LogP3.83
Rot. Bonds5

About ethyl 4-[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]piperidine-1-carboxylate

ethyl 4-[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]piperidine-1-carboxylate (PubChem CID 11385612) has the molecular formula C20H23BrN6O2 and a molecular weight of 459.35 g/mol. Its IUPAC name is ethyl 4-[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]piperidine-1-carboxylate
PubChem CID11385612
Molecular FormulaC20H23BrN6O2
Molecular Weight459.35 g/mol
Exact Mass458.11
IUPAC Nameethyl 4-[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(c2cn3c(Br)cnc3c(NCc3cccnc3)n2)CC1
InChIInChI=1S/C20H23BrN6O2/c1-2-29-20(28)26-8-5-15(6-9-26)16-13-27-17(21)12-24-19(27)18(25-16)23-11-14-4-3-7-22-10-14/h3-4,7,10,12-13,15H,2,5-6,8-9,11H2,1H3,(H,23,25)
InChIKeyMGOVWIHHXPLVGU-UHFFFAOYSA-N
XLogP3.83
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.35
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

3,6-dibromo-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
CID 20814323
ethyl 4-(pyridin-3-ylmethylcarbamoylamino)piperidine-1-carboxylate
CID 110706271
ethyl 4-[[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]piperidine-1-carboxylate
CID 109023489
ethyl 4-[acetyl-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]piperidine-1-carboxylate
CID 113122149
ethyl 4-[[4-(pyridin-3-ylmethylcarbamoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 109307332
ethyl 4-(3-pyridin-3-ylpropanoylamino)piperidine-1-carboxylate
CID 31369357
5-bromo-6-(2-chlorophenyl)-3-iodo-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;3-bromo-6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;3-bromo-6-(2-chlorophenyl)-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;3-bromo-N,6-diphenylimidazo[1,2-a]pyrazin-8-amine;3-bromo-N-(4-methylsulfonylphenyl)-6-phenylimidazo[1,2-a]pyrazin-8-amine;3-bromo-6-phenyl-N-(2-pyridin-3-ylethyl)imidazo[1,2-a]pyrazin-8-amine;3-bromo-6-phenyl-N-(2-pyridin-4-ylethyl)imidazo[1,2-a]pyrazin-8-amine;6-(2-chlorophenyl)-3-iodo-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;ethyl 4-[[3-bromo-6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;3-iodo-6-phenyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
CID 158583615
ethyl 4-[[N'-(pyridin-3-ylmethyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111023362
7-bromo-9-(pyridin-3-ylmethylamino)pyrazino[1,2-a]pyrimidin-4-one
CID 146673900
ethyl 4-[[6-(pyridin-3-ylmethylcarbamoyl)pyridazin-3-yl]amino]piperidine-1-carboxylate
CID 109121105
tert-butyl 4-(pyridin-3-ylmethylamino)piperidine-1-carboxylate
CID 2761049
[1-[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridin-6-yl]piperidin-2-yl]methanol
CID 10476985

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]piperidine-1-carboxylate (CID 11385612) is ethyl 4-[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(c2cn3c(Br)cnc3c(NCc3cccnc3)n2)CC1.
What is the InChIKey of ethyl 4-[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]piperidine-1-carboxylate?
The InChIKey is MGOVWIHHXPLVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN6O2/c1-2-29-20(28)26-8-5-15(6-9-26)16-13-27-17(21)12-24-19(27)18(25-16)23-11-14-4-3-7-22-10-14/h3-4,7,10,12-13,15H,2,5-6,8-9,11H2,1H3,(H,23,25).
What are the key properties of ethyl 4-[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]piperidine-1-carboxylate?
ethyl 4-[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]piperidine-1-carboxylate has a molecular weight of 459.35 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]piperidine-1-carboxylate is sourced from PubChem (CID 11385612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).