methyl 3-phenyl-1-(1-phenylethylcarbamoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate

C23H24N4O3 — CID 66932026

IUPACmethyl 3-phenyl-1-(1-phenylethylcarbamoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
SMILESCOC(=O)N1CCn2c(-c3ccccc3)nc(C(=O)NC(C)c3ccccc3)c2C1
InChIInChI=1S/C23H24N4O3/c1-16(17-9-5-3-6-10-17)24-22(28)20-19-15-26(23(29)30-2)13-14-27(19)21(25-20)18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3,(H,24,28)
InChIKeyCKUXVXCZHMNLGY-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.62
Rot. Bonds4

About methyl 3-phenyl-1-(1-phenylethylcarbamoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate

methyl 3-phenyl-1-(1-phenylethylcarbamoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate (PubChem CID 66932026) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is methyl 3-phenyl-1-(1-phenylethylcarbamoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-phenyl-1-(1-phenylethylcarbamoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
PubChem CID66932026
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Namemethyl 3-phenyl-1-(1-phenylethylcarbamoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
SMILESCOC(=O)N1CCn2c(-c3ccccc3)nc(C(=O)NC(C)c3ccccc3)c2C1
InChIInChI=1S/C23H24N4O3/c1-16(17-9-5-3-6-10-17)24-22(28)20-19-15-26(23(29)30-2)13-14-27(19)21(25-20)18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3,(H,24,28)
InChIKeyCKUXVXCZHMNLGY-UHFFFAOYSA-N
XLogP3.62
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-phenyl-1-(1-phenylethylcarbamoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?
The IUPAC name of methyl 3-phenyl-1-(1-phenylethylcarbamoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate (CID 66932026) is methyl 3-phenyl-1-(1-phenylethylcarbamoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate.
What is the SMILES notation for methyl 3-phenyl-1-(1-phenylethylcarbamoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?
The canonical SMILES for methyl 3-phenyl-1-(1-phenylethylcarbamoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate is COC(=O)N1CCn2c(-c3ccccc3)nc(C(=O)NC(C)c3ccccc3)c2C1.
What is the InChIKey of methyl 3-phenyl-1-(1-phenylethylcarbamoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?
The InChIKey is CKUXVXCZHMNLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-16(17-9-5-3-6-10-17)24-22(28)20-19-15-26(23(29)30-2)13-14-27(19)21(25-20)18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3,(H,24,28).
What are the key properties of methyl 3-phenyl-1-(1-phenylethylcarbamoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?
methyl 3-phenyl-1-(1-phenylethylcarbamoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate has a molecular weight of 404.47 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-phenyl-1-(1-phenylethylcarbamoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate is sourced from PubChem (CID 66932026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).