benzyl 3-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate

C20H21N3O2 — CID 58417726

IUPACbenzyl 3-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate
SMILESO=C(OCc1ccccc1)N1CCN2C(c3ccccc3)=NCC2C1
InChIInChI=1S/C20H21N3O2/c24-20(25-15-16-7-3-1-4-8-16)22-11-12-23-18(14-22)13-21-19(23)17-9-5-2-6-10-17/h1-10,18H,11-15H2
InChIKeyUWQFAFPXBNADCA-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.77
Rot. Bonds3

About benzyl 3-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate

benzyl 3-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate (PubChem CID 58417726) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is benzyl 3-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Namebenzyl 3-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate
PubChem CID58417726
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Namebenzyl 3-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate
SMILESO=C(OCc1ccccc1)N1CCN2C(c3ccccc3)=NCC2C1
InChIInChI=1S/C20H21N3O2/c24-20(25-15-16-7-3-1-4-8-16)22-11-12-23-18(14-22)13-21-19(23)17-9-5-2-6-10-17/h1-10,18H,11-15H2
InChIKeyUWQFAFPXBNADCA-UHFFFAOYSA-N
XLogP2.77
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze benzyl 3-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl 3-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate?
The IUPAC name of benzyl 3-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate (CID 58417726) is benzyl 3-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate.
What is the SMILES notation for benzyl 3-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate?
The canonical SMILES for benzyl 3-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate is O=C(OCc1ccccc1)N1CCN2C(c3ccccc3)=NCC2C1.
What is the InChIKey of benzyl 3-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate?
The InChIKey is UWQFAFPXBNADCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-20(25-15-16-7-3-1-4-8-16)22-11-12-23-18(14-22)13-21-19(23)17-9-5-2-6-10-17/h1-10,18H,11-15H2.
What are the key properties of benzyl 3-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate?
benzyl 3-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate has a molecular weight of 335.41 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate is sourced from PubChem (CID 58417726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).