benzyl (2S)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate

C19H19ClN4O2 — CID 86720554

IUPACbenzyl (2S)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCC[C@H]1c1ncc2c(Cl)nccn12
InChIInChI=1S/C19H19ClN4O2/c20-17-16-12-22-18(23(16)11-9-21-17)15-8-4-5-10-24(15)19(25)26-13-14-6-2-1-3-7-14/h1-3,6-7,9,11-12,15H,4-5,8,10,13H2/t15-/m0/s1
InChIKeyJVXMGBYCKQHDIK-HNNXBMFYSA-N
MW370.84 g/mol
LogP4.25
Rot. Bonds3

About benzyl (2S)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate

benzyl (2S)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate (PubChem CID 86720554) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is benzyl (2S)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate
PubChem CID86720554
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Namebenzyl (2S)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCC[C@H]1c1ncc2c(Cl)nccn12
InChIInChI=1S/C19H19ClN4O2/c20-17-16-12-22-18(23(16)11-9-21-17)15-8-4-5-10-24(15)19(25)26-13-14-6-2-1-3-7-14/h1-3,6-7,9,11-12,15H,4-5,8,10,13H2/t15-/m0/s1
InChIKeyJVXMGBYCKQHDIK-HNNXBMFYSA-N
XLogP4.25
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate?
The IUPAC name of benzyl (2S)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate (CID 86720554) is benzyl (2S)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl (2S)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate?
The canonical SMILES for benzyl (2S)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCCC[C@H]1c1ncc2c(Cl)nccn12.
What is the InChIKey of benzyl (2S)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate?
The InChIKey is JVXMGBYCKQHDIK-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c20-17-16-12-22-18(23(16)11-9-21-17)15-8-4-5-10-24(15)19(25)26-13-14-6-2-1-3-7-14/h1-3,6-7,9,11-12,15H,4-5,8,10,13H2/t15-/m0/s1.
What are the key properties of benzyl (2S)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate?
benzyl (2S)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate has a molecular weight of 370.84 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 86720554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).