benzyl N-[4-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]-N-(2-methoxyethyl)carbamate

C23H27ClN4O3 — CID 87370860

IUPACbenzyl N-[4-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]-N-(2-methoxyethyl)carbamate
SMILESCOCCN(C(=O)OCc1ccccc1)C1CCC(c2ncc3c(Cl)nccn23)CC1
InChIInChI=1S/C23H27ClN4O3/c1-30-14-13-27(23(29)31-16-17-5-3-2-4-6-17)19-9-7-18(8-10-19)22-26-15-20-21(24)25-11-12-28(20)22/h2-6,11-12,15,18-19H,7-10,13-14,16H2,1H3
InChIKeyARHCEJRBJQZAEK-UHFFFAOYSA-N
MW442.95 g/mol
LogP4.69
Rot. Bonds7

About benzyl N-[4-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]-N-(2-methoxyethyl)carbamate

benzyl N-[4-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]-N-(2-methoxyethyl)carbamate (PubChem CID 87370860) has the molecular formula C23H27ClN4O3 and a molecular weight of 442.95 g/mol. Its IUPAC name is benzyl N-[4-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]-N-(2-methoxyethyl)carbamate.

Molecular Properties

Compound Namebenzyl N-[4-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]-N-(2-methoxyethyl)carbamate
PubChem CID87370860
Molecular FormulaC23H27ClN4O3
Molecular Weight442.95 g/mol
Exact Mass442.18
IUPAC Namebenzyl N-[4-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]-N-(2-methoxyethyl)carbamate
SMILESCOCCN(C(=O)OCc1ccccc1)C1CCC(c2ncc3c(Cl)nccn23)CC1
InChIInChI=1S/C23H27ClN4O3/c1-30-14-13-27(23(29)31-16-17-5-3-2-4-6-17)19-9-7-18(8-10-19)22-26-15-20-21(24)25-11-12-28(20)22/h2-6,11-12,15,18-19H,7-10,13-14,16H2,1H3
InChIKeyARHCEJRBJQZAEK-UHFFFAOYSA-N
XLogP4.69
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.95
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]-N-(2-methoxyethyl)carbamate?
The IUPAC name of benzyl N-[4-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]-N-(2-methoxyethyl)carbamate (CID 87370860) is benzyl N-[4-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]-N-(2-methoxyethyl)carbamate.
What is the SMILES notation for benzyl N-[4-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]-N-(2-methoxyethyl)carbamate?
The canonical SMILES for benzyl N-[4-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]-N-(2-methoxyethyl)carbamate is COCCN(C(=O)OCc1ccccc1)C1CCC(c2ncc3c(Cl)nccn23)CC1.
What is the InChIKey of benzyl N-[4-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]-N-(2-methoxyethyl)carbamate?
The InChIKey is ARHCEJRBJQZAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O3/c1-30-14-13-27(23(29)31-16-17-5-3-2-4-6-17)19-9-7-18(8-10-19)22-26-15-20-21(24)25-11-12-28(20)22/h2-6,11-12,15,18-19H,7-10,13-14,16H2,1H3.
What are the key properties of benzyl N-[4-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]-N-(2-methoxyethyl)carbamate?
benzyl N-[4-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]-N-(2-methoxyethyl)carbamate has a molecular weight of 442.95 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]-N-(2-methoxyethyl)carbamate is sourced from PubChem (CID 87370860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).