benzyl 4-[4-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]piperazine-1-carboxylate

C24H28ClN5O2 — CID 86674632

IUPACbenzyl 4-[4-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]piperazine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCN(C2CCC(c3ncc4c(Cl)nccn34)CC2)CC1
InChIInChI=1S/C24H28ClN5O2/c25-22-21-16-27-23(30(21)11-10-26-22)19-6-8-20(9-7-19)28-12-14-29(15-13-28)24(31)32-17-18-4-2-1-3-5-18/h1-5,10-11,16,19-20H,6-9,12-15,17H2
InChIKeyNAIBZVMYEACEKV-UHFFFAOYSA-N
MW453.97 g/mol
LogP4.36
Rot. Bonds4

About benzyl 4-[4-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]piperazine-1-carboxylate

benzyl 4-[4-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]piperazine-1-carboxylate (PubChem CID 86674632) has the molecular formula C24H28ClN5O2 and a molecular weight of 453.97 g/mol. Its IUPAC name is benzyl 4-[4-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[4-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]piperazine-1-carboxylate
PubChem CID86674632
Molecular FormulaC24H28ClN5O2
Molecular Weight453.97 g/mol
Exact Mass453.19
IUPAC Namebenzyl 4-[4-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]piperazine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCN(C2CCC(c3ncc4c(Cl)nccn34)CC2)CC1
InChIInChI=1S/C24H28ClN5O2/c25-22-21-16-27-23(30(21)11-10-26-22)19-6-8-20(9-7-19)28-12-14-29(15-13-28)24(31)32-17-18-4-2-1-3-5-18/h1-5,10-11,16,19-20H,6-9,12-15,17H2
InChIKeyNAIBZVMYEACEKV-UHFFFAOYSA-N
XLogP4.36
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.97
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-[4-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]piperazine-1-carboxylate?
The IUPAC name of benzyl 4-[4-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]piperazine-1-carboxylate (CID 86674632) is benzyl 4-[4-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]piperazine-1-carboxylate.
What is the SMILES notation for benzyl 4-[4-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]piperazine-1-carboxylate?
The canonical SMILES for benzyl 4-[4-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]piperazine-1-carboxylate is O=C(OCc1ccccc1)N1CCN(C2CCC(c3ncc4c(Cl)nccn34)CC2)CC1.
What is the InChIKey of benzyl 4-[4-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]piperazine-1-carboxylate?
The InChIKey is NAIBZVMYEACEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O2/c25-22-21-16-27-23(30(21)11-10-26-22)19-6-8-20(9-7-19)28-12-14-29(15-13-28)24(31)32-17-18-4-2-1-3-5-18/h1-5,10-11,16,19-20H,6-9,12-15,17H2.
What are the key properties of benzyl 4-[4-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]piperazine-1-carboxylate?
benzyl 4-[4-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]piperazine-1-carboxylate has a molecular weight of 453.97 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[4-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]piperazine-1-carboxylate is sourced from PubChem (CID 86674632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).