1-bromo-8-methyl-3-(4-piperazin-1-ylcyclohexyl)imidazo[1,5-a]pyrazine;hydrochloride

C17H25BrClN5 — CID 67365898

IUPAC1-bromo-8-methyl-3-(4-piperazin-1-ylcyclohexyl)imidazo[1,5-a]pyrazine;hydrochloride
SMILESCc1nccn2c(C3CCC(N4CCNCC4)CC3)nc(Br)c12.Cl
InChIInChI=1S/C17H24BrN5.ClH/c1-12-15-16(18)21-17(23(15)11-8-20-12)13-2-4-14(5-3-13)22-9-6-19-7-10-22;/h8,11,13-14,19H,2-7,9-10H2,1H3;1H
InChIKeyATCKATMHZJRKQX-UHFFFAOYSA-N
MW414.78 g/mol
LogP3.15
Rot. Bonds2

About 1-bromo-8-methyl-3-(4-piperazin-1-ylcyclohexyl)imidazo[1,5-a]pyrazine;hydrochloride

1-bromo-8-methyl-3-(4-piperazin-1-ylcyclohexyl)imidazo[1,5-a]pyrazine;hydrochloride (PubChem CID 67365898) has the molecular formula C17H25BrClN5 and a molecular weight of 414.78 g/mol. Its IUPAC name is 1-bromo-8-methyl-3-(4-piperazin-1-ylcyclohexyl)imidazo[1,5-a]pyrazine;hydrochloride.

Molecular Properties

Compound Name1-bromo-8-methyl-3-(4-piperazin-1-ylcyclohexyl)imidazo[1,5-a]pyrazine;hydrochloride
PubChem CID67365898
Molecular FormulaC17H25BrClN5
Molecular Weight414.78 g/mol
Exact Mass413.10
IUPAC Name1-bromo-8-methyl-3-(4-piperazin-1-ylcyclohexyl)imidazo[1,5-a]pyrazine;hydrochloride
SMILESCc1nccn2c(C3CCC(N4CCNCC4)CC3)nc(Br)c12.Cl
InChIInChI=1S/C17H24BrN5.ClH/c1-12-15-16(18)21-17(23(15)11-8-20-12)13-2-4-14(5-3-13)22-9-6-19-7-10-22;/h8,11,13-14,19H,2-7,9-10H2,1H3;1H
InChIKeyATCKATMHZJRKQX-UHFFFAOYSA-N
XLogP3.15
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.78
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-8-methyl-3-(4-piperazin-1-ylcyclohexyl)imidazo[1,5-a]pyrazine;hydrochloride?
The IUPAC name of 1-bromo-8-methyl-3-(4-piperazin-1-ylcyclohexyl)imidazo[1,5-a]pyrazine;hydrochloride (CID 67365898) is 1-bromo-8-methyl-3-(4-piperazin-1-ylcyclohexyl)imidazo[1,5-a]pyrazine;hydrochloride.
What is the SMILES notation for 1-bromo-8-methyl-3-(4-piperazin-1-ylcyclohexyl)imidazo[1,5-a]pyrazine;hydrochloride?
The canonical SMILES for 1-bromo-8-methyl-3-(4-piperazin-1-ylcyclohexyl)imidazo[1,5-a]pyrazine;hydrochloride is Cc1nccn2c(C3CCC(N4CCNCC4)CC3)nc(Br)c12.Cl.
What is the InChIKey of 1-bromo-8-methyl-3-(4-piperazin-1-ylcyclohexyl)imidazo[1,5-a]pyrazine;hydrochloride?
The InChIKey is ATCKATMHZJRKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN5.ClH/c1-12-15-16(18)21-17(23(15)11-8-20-12)13-2-4-14(5-3-13)22-9-6-19-7-10-22;/h8,11,13-14,19H,2-7,9-10H2,1H3;1H.
What are the key properties of 1-bromo-8-methyl-3-(4-piperazin-1-ylcyclohexyl)imidazo[1,5-a]pyrazine;hydrochloride?
1-bromo-8-methyl-3-(4-piperazin-1-ylcyclohexyl)imidazo[1,5-a]pyrazine;hydrochloride has a molecular weight of 414.78 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-8-methyl-3-(4-piperazin-1-ylcyclohexyl)imidazo[1,5-a]pyrazine;hydrochloride is sourced from PubChem (CID 67365898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).