ethyl 3-(3-bromo-8-chloroimidazo[1,2-a]pyrazin-6-yl)piperidine-1-carboxylate

C14H16BrClN4O2 — CID 11406581

IUPACethyl 3-(3-bromo-8-chloroimidazo[1,2-a]pyrazin-6-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(c2cn3c(Br)cnc3c(Cl)n2)C1
InChIInChI=1S/C14H16BrClN4O2/c1-2-22-14(21)19-5-3-4-9(7-19)10-8-20-11(15)6-17-13(20)12(16)18-10/h6,8-9H,2-5,7H2,1H3
InChIKeyRQQZDZHAJSQMKG-UHFFFAOYSA-N
MW387.67 g/mol
LogP3.48
Rot. Bonds2

About ethyl 3-(3-bromo-8-chloroimidazo[1,2-a]pyrazin-6-yl)piperidine-1-carboxylate

ethyl 3-(3-bromo-8-chloroimidazo[1,2-a]pyrazin-6-yl)piperidine-1-carboxylate (PubChem CID 11406581) has the molecular formula C14H16BrClN4O2 and a molecular weight of 387.67 g/mol. Its IUPAC name is ethyl 3-(3-bromo-8-chloroimidazo[1,2-a]pyrazin-6-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(3-bromo-8-chloroimidazo[1,2-a]pyrazin-6-yl)piperidine-1-carboxylate
PubChem CID11406581
Molecular FormulaC14H16BrClN4O2
Molecular Weight387.67 g/mol
Exact Mass386.01
IUPAC Nameethyl 3-(3-bromo-8-chloroimidazo[1,2-a]pyrazin-6-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(c2cn3c(Br)cnc3c(Cl)n2)C1
InChIInChI=1S/C14H16BrClN4O2/c1-2-22-14(21)19-5-3-4-9(7-19)10-8-20-11(15)6-17-13(20)12(16)18-10/h6,8-9H,2-5,7H2,1H3
InChIKeyRQQZDZHAJSQMKG-UHFFFAOYSA-N
XLogP3.48
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.67
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-bromo-8-chloroimidazo[1,2-a]pyrazin-6-yl)piperidine-1-carboxylate?
The IUPAC name of ethyl 3-(3-bromo-8-chloroimidazo[1,2-a]pyrazin-6-yl)piperidine-1-carboxylate (CID 11406581) is ethyl 3-(3-bromo-8-chloroimidazo[1,2-a]pyrazin-6-yl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 3-(3-bromo-8-chloroimidazo[1,2-a]pyrazin-6-yl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 3-(3-bromo-8-chloroimidazo[1,2-a]pyrazin-6-yl)piperidine-1-carboxylate is CCOC(=O)N1CCCC(c2cn3c(Br)cnc3c(Cl)n2)C1.
What is the InChIKey of ethyl 3-(3-bromo-8-chloroimidazo[1,2-a]pyrazin-6-yl)piperidine-1-carboxylate?
The InChIKey is RQQZDZHAJSQMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN4O2/c1-2-22-14(21)19-5-3-4-9(7-19)10-8-20-11(15)6-17-13(20)12(16)18-10/h6,8-9H,2-5,7H2,1H3.
What are the key properties of ethyl 3-(3-bromo-8-chloroimidazo[1,2-a]pyrazin-6-yl)piperidine-1-carboxylate?
ethyl 3-(3-bromo-8-chloroimidazo[1,2-a]pyrazin-6-yl)piperidine-1-carboxylate has a molecular weight of 387.67 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-bromo-8-chloroimidazo[1,2-a]pyrazin-6-yl)piperidine-1-carboxylate is sourced from PubChem (CID 11406581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).