(8aS)-8a-methyl-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

C29H28N4O3 — CID 56676511

IUPAC(8aS)-8a-methyl-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESC[C@@]12CN(C(=O)Nc3ccccc3-c3ccccc3)CCN1C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O
InChIInChI=1S/C29H28N4O3/c1-29-19-31(27(35)30-24-15-9-8-14-22(24)20-10-4-2-5-11-20)16-17-32(29)28(36)33(26(29)34)25-18-23(25)21-12-6-3-7-13-21/h2-15,23,25H,16-19H2,1H3,(H,30,35)/t23-,25+,29+/m1/s1
InChIKeyKKLDDEYDXMGNQG-APJNYFBKSA-N
MW480.57 g/mol
LogP4.78
Rot. Bonds4

About (8aS)-8a-methyl-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

(8aS)-8a-methyl-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 56676511) has the molecular formula C29H28N4O3 and a molecular weight of 480.57 g/mol. Its IUPAC name is (8aS)-8a-methyl-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name(8aS)-8a-methyl-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID56676511
Molecular FormulaC29H28N4O3
Molecular Weight480.57 g/mol
Exact Mass480.22
IUPAC Name(8aS)-8a-methyl-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESC[C@@]12CN(C(=O)Nc3ccccc3-c3ccccc3)CCN1C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O
InChIInChI=1S/C29H28N4O3/c1-29-19-31(27(35)30-24-15-9-8-14-22(24)20-10-4-2-5-11-20)16-17-32(29)28(36)33(26(29)34)25-18-23(25)21-12-6-3-7-13-21/h2-15,23,25H,16-19H2,1H3,(H,30,35)/t23-,25+,29+/m1/s1
InChIKeyKKLDDEYDXMGNQG-APJNYFBKSA-N
XLogP4.78
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (8aS)-8a-methyl-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8aS)-8a-methyl-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of (8aS)-8a-methyl-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (CID 56676511) is (8aS)-8a-methyl-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for (8aS)-8a-methyl-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for (8aS)-8a-methyl-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is C[C@@]12CN(C(=O)Nc3ccccc3-c3ccccc3)CCN1C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O.
What is the InChIKey of (8aS)-8a-methyl-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is KKLDDEYDXMGNQG-APJNYFBKSA-N. The full InChI is InChI=1S/C29H28N4O3/c1-29-19-31(27(35)30-24-15-9-8-14-22(24)20-10-4-2-5-11-20)16-17-32(29)28(36)33(26(29)34)25-18-23(25)21-12-6-3-7-13-21/h2-15,23,25H,16-19H2,1H3,(H,30,35)/t23-,25+,29+/m1/s1.
What are the key properties of (8aS)-8a-methyl-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
(8aS)-8a-methyl-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 480.57 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-8a-methyl-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 56676511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).