7-(oxane-4-carbonyl)-2-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

C18H23N3O3 — CID 162790307

IUPAC7-(oxane-4-carbonyl)-2-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESO=C(C1CCOCC1)N1CCN2C(=O)N(c3ccccc3)CC2C1
InChIInChI=1S/C18H23N3O3/c22-17(14-6-10-24-11-7-14)19-8-9-20-16(12-19)13-21(18(20)23)15-4-2-1-3-5-15/h1-5,14,16H,6-13H2
InChIKeyPSUXKMHQVOVZRN-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.57
Rot. Bonds2

About 7-(oxane-4-carbonyl)-2-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

7-(oxane-4-carbonyl)-2-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 162790307) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 7-(oxane-4-carbonyl)-2-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(oxane-4-carbonyl)-2-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
PubChem CID162790307
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name7-(oxane-4-carbonyl)-2-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESO=C(C1CCOCC1)N1CCN2C(=O)N(c3ccccc3)CC2C1
InChIInChI=1S/C18H23N3O3/c22-17(14-6-10-24-11-7-14)19-8-9-20-16(12-19)13-21(18(20)23)15-4-2-1-3-5-15/h1-5,14,16H,6-13H2
InChIKeyPSUXKMHQVOVZRN-UHFFFAOYSA-N
XLogP1.57
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(oxane-4-carbonyl)-2-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-(oxane-4-carbonyl)-2-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (CID 162790307) is 7-(oxane-4-carbonyl)-2-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-(oxane-4-carbonyl)-2-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-(oxane-4-carbonyl)-2-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is O=C(C1CCOCC1)N1CCN2C(=O)N(c3ccccc3)CC2C1.
What is the InChIKey of 7-(oxane-4-carbonyl)-2-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is PSUXKMHQVOVZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c22-17(14-6-10-24-11-7-14)19-8-9-20-16(12-19)13-21(18(20)23)15-4-2-1-3-5-15/h1-5,14,16H,6-13H2.
What are the key properties of 7-(oxane-4-carbonyl)-2-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
7-(oxane-4-carbonyl)-2-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 329.40 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(oxane-4-carbonyl)-2-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 162790307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).