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

C28H26N4O3 — CID 56676509

IUPAC(8aS)-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
SMILESO=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1
InChIInChI=1S/C28H26N4O3/c33-26-25-18-30(27(34)29-23-14-8-7-13-21(23)19-9-3-1-4-10-19)15-16-31(25)28(35)32(26)24-17-22(24)20-11-5-2-6-12-20/h1-14,22,24-25H,15-18H2,(H,29,34)/t22-,24+,25+/m1/s1
InChIKeyTWDSYKIINURWKN-VJTSUQJLSA-N
MW466.54 g/mol
LogP4.39
Rot. Bonds4

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

(8aS)-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 56676509) has the molecular formula C28H26N4O3 and a molecular weight of 466.54 g/mol. Its IUPAC name is (8aS)-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name(8aS)-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID56676509
Molecular FormulaC28H26N4O3
Molecular Weight466.54 g/mol
Exact Mass466.20
IUPAC Name(8aS)-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
SMILESO=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1
InChIInChI=1S/C28H26N4O3/c33-26-25-18-30(27(34)29-23-14-8-7-13-21(23)19-9-3-1-4-10-19)15-16-31(25)28(35)32(26)24-17-22(24)20-11-5-2-6-12-20/h1-14,22,24-25H,15-18H2,(H,29,34)/t22-,24+,25+/m1/s1
InChIKeyTWDSYKIINURWKN-VJTSUQJLSA-N
XLogP4.39
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (8aS)-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of (8aS)-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide (CID 56676509) is (8aS)-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for (8aS)-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for (8aS)-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide is O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1.
What is the InChIKey of (8aS)-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is TWDSYKIINURWKN-VJTSUQJLSA-N. The full InChI is InChI=1S/C28H26N4O3/c33-26-25-18-30(27(34)29-23-14-8-7-13-21(23)19-9-3-1-4-10-19)15-16-31(25)28(35)32(26)24-17-22(24)20-11-5-2-6-12-20/h1-14,22,24-25H,15-18H2,(H,29,34)/t22-,24+,25+/m1/s1.
What are the key properties of (8aS)-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide?
(8aS)-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 466.54 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 56676509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).