1,3-dioxo-2-(2-phenylethyl)-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide

C27H26N4O3 — CID 56659601

IUPAC1,3-dioxo-2-(2-phenylethyl)-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
SMILESO=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(CCc3ccccc3)C(=O)C2C1
InChIInChI=1S/C27H26N4O3/c32-25-24-19-29(17-18-30(24)27(34)31(25)16-15-20-9-3-1-4-10-20)26(33)28-23-14-8-7-13-22(23)21-11-5-2-6-12-21/h1-14,24H,15-19H2,(H,28,33)
InChIKeySJNPBDGOVUXEBV-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.08
Rot. Bonds5

About 1,3-dioxo-2-(2-phenylethyl)-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide

1,3-dioxo-2-(2-phenylethyl)-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 56659601) has the molecular formula C27H26N4O3 and a molecular weight of 454.53 g/mol. Its IUPAC name is 1,3-dioxo-2-(2-phenylethyl)-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name1,3-dioxo-2-(2-phenylethyl)-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID56659601
Molecular FormulaC27H26N4O3
Molecular Weight454.53 g/mol
Exact Mass454.20
IUPAC Name1,3-dioxo-2-(2-phenylethyl)-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
SMILESO=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(CCc3ccccc3)C(=O)C2C1
InChIInChI=1S/C27H26N4O3/c32-25-24-19-29(17-18-30(24)27(34)31(25)16-15-20-9-3-1-4-10-20)26(33)28-23-14-8-7-13-22(23)21-11-5-2-6-12-21/h1-14,24H,15-19H2,(H,28,33)
InChIKeySJNPBDGOVUXEBV-UHFFFAOYSA-N
XLogP4.08
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 1,3-dioxo-2-(2-phenylethyl)-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide 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 1,3-dioxo-2-(2-phenylethyl)-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of 1,3-dioxo-2-(2-phenylethyl)-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide (CID 56659601) is 1,3-dioxo-2-(2-phenylethyl)-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for 1,3-dioxo-2-(2-phenylethyl)-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for 1,3-dioxo-2-(2-phenylethyl)-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide is O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(CCc3ccccc3)C(=O)C2C1.
What is the InChIKey of 1,3-dioxo-2-(2-phenylethyl)-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is SJNPBDGOVUXEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3/c32-25-24-19-29(17-18-30(24)27(34)31(25)16-15-20-9-3-1-4-10-20)26(33)28-23-14-8-7-13-22(23)21-11-5-2-6-12-21/h1-14,24H,15-19H2,(H,28,33).
What are the key properties of 1,3-dioxo-2-(2-phenylethyl)-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide?
1,3-dioxo-2-(2-phenylethyl)-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxo-2-(2-phenylethyl)-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 56659601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).