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

C29H24N4O3 — CID 56676765

IUPAC2-naphthalen-1-yl-1,3-dioxo-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
SMILESO=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(c3cccc4ccccc34)C(=O)C2C1
InChIInChI=1S/C29H24N4O3/c34-27-26-19-31(28(35)30-24-15-7-6-13-22(24)20-9-2-1-3-10-20)17-18-32(26)29(36)33(27)25-16-8-12-21-11-4-5-14-23(21)25/h1-16,26H,17-19H2,(H,30,35)
InChIKeyKHLYDKCXTXXEAT-UHFFFAOYSA-N
MW476.54 g/mol
LogP5.19
Rot. Bonds3

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

2-naphthalen-1-yl-1,3-dioxo-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 56676765) has the molecular formula C29H24N4O3 and a molecular weight of 476.54 g/mol. Its IUPAC name is 2-naphthalen-1-yl-1,3-dioxo-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-naphthalen-1-yl-1,3-dioxo-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID56676765
Molecular FormulaC29H24N4O3
Molecular Weight476.54 g/mol
Exact Mass476.18
IUPAC Name2-naphthalen-1-yl-1,3-dioxo-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
SMILESO=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(c3cccc4ccccc34)C(=O)C2C1
InChIInChI=1S/C29H24N4O3/c34-27-26-19-31(28(35)30-24-15-7-6-13-22(24)20-9-2-1-3-10-20)17-18-32(26)29(36)33(27)25-16-8-12-21-11-4-5-14-23(21)25/h1-16,26H,17-19H2,(H,30,35)
InChIKeyKHLYDKCXTXXEAT-UHFFFAOYSA-N
XLogP5.19
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.54
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-1,3-dioxo-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of 2-naphthalen-1-yl-1,3-dioxo-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide (CID 56676765) is 2-naphthalen-1-yl-1,3-dioxo-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for 2-naphthalen-1-yl-1,3-dioxo-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for 2-naphthalen-1-yl-1,3-dioxo-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide is O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(c3cccc4ccccc34)C(=O)C2C1.
What is the InChIKey of 2-naphthalen-1-yl-1,3-dioxo-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is KHLYDKCXTXXEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O3/c34-27-26-19-31(28(35)30-24-15-7-6-13-22(24)20-9-2-1-3-10-20)17-18-32(26)29(36)33(27)25-16-8-12-21-11-4-5-14-23(21)25/h1-16,26H,17-19H2,(H,30,35).
What are the key properties of 2-naphthalen-1-yl-1,3-dioxo-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide?
2-naphthalen-1-yl-1,3-dioxo-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 476.54 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-1,3-dioxo-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 56676765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).