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

C26H24N4O3S — CID 56659805

IUPAC1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-thiophen-3-ylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
SMILESO=C(Nc1ccccc1-c1ccsc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1
InChIInChI=1S/C26H24N4O3S/c31-24-23-15-28(25(32)27-21-9-5-4-8-19(21)18-10-13-34-16-18)11-12-29(23)26(33)30(24)22-14-20(22)17-6-2-1-3-7-17/h1-10,13,16,20,22-23H,11-12,14-15H2,(H,27,32)/t20-,22+,23?/m1/s1
InChIKeyOFSGZMLVVWEIEL-PTCKQWLISA-N
MW472.57 g/mol
LogP4.45
Rot. Bonds4

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

1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-thiophen-3-ylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 56659805) has the molecular formula C26H24N4O3S and a molecular weight of 472.57 g/mol. Its IUPAC name is 1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-thiophen-3-ylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-thiophen-3-ylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID56659805
Molecular FormulaC26H24N4O3S
Molecular Weight472.57 g/mol
Exact Mass472.16
IUPAC Name1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-thiophen-3-ylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
SMILESO=C(Nc1ccccc1-c1ccsc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1
InChIInChI=1S/C26H24N4O3S/c31-24-23-15-28(25(32)27-21-9-5-4-8-19(21)18-10-13-34-16-18)11-12-29(23)26(33)30(24)22-14-20(22)17-6-2-1-3-7-17/h1-10,13,16,20,22-23H,11-12,14-15H2,(H,27,32)/t20-,22+,23?/m1/s1
InChIKeyOFSGZMLVVWEIEL-PTCKQWLISA-N
XLogP4.45
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-thiophen-3-ylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of 1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-thiophen-3-ylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide (CID 56659805) is 1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-thiophen-3-ylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for 1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-thiophen-3-ylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for 1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-thiophen-3-ylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide is O=C(Nc1ccccc1-c1ccsc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1.
What is the InChIKey of 1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-thiophen-3-ylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is OFSGZMLVVWEIEL-PTCKQWLISA-N. The full InChI is InChI=1S/C26H24N4O3S/c31-24-23-15-28(25(32)27-21-9-5-4-8-19(21)18-10-13-34-16-18)11-12-29(23)26(33)30(24)22-14-20(22)17-6-2-1-3-7-17/h1-10,13,16,20,22-23H,11-12,14-15H2,(H,27,32)/t20-,22+,23?/m1/s1.
What are the key properties of 1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-thiophen-3-ylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide?
1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-thiophen-3-ylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 472.57 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-thiophen-3-ylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 56659805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).