3-oxo-3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)-2-phenylpropanenitrile

C15H16N4O2 — CID 79096457

IUPAC3-oxo-3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)-2-phenylpropanenitrile
SMILESN#CC(C(=O)N1CCN2C(=O)NCC2C1)c1ccccc1
InChIInChI=1S/C15H16N4O2/c16-8-13(11-4-2-1-3-5-11)14(20)18-6-7-19-12(10-18)9-17-15(19)21/h1-5,12-13H,6-7,9-10H2,(H,17,21)
InChIKeySZFYKCFQBJYUGV-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.53
Rot. Bonds2

About 3-oxo-3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)-2-phenylpropanenitrile

3-oxo-3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)-2-phenylpropanenitrile (PubChem CID 79096457) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-oxo-3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)-2-phenylpropanenitrile.

Molecular Properties

Compound Name3-oxo-3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)-2-phenylpropanenitrile
PubChem CID79096457
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name3-oxo-3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)-2-phenylpropanenitrile
SMILESN#CC(C(=O)N1CCN2C(=O)NCC2C1)c1ccccc1
InChIInChI=1S/C15H16N4O2/c16-8-13(11-4-2-1-3-5-11)14(20)18-6-7-19-12(10-18)9-17-15(19)21/h1-5,12-13H,6-7,9-10H2,(H,17,21)
InChIKeySZFYKCFQBJYUGV-UHFFFAOYSA-N
XLogP0.53
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-oxo-3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)-2-phenylpropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cyclo(L-Phe-L-Pro)
CID 443440
(3S-trans)-3-benzylhexahydropyrrolo(1,2-a)pyrazine-1,4-dione
CID 99895
Phenylalanyl-prolyl diketopiperazine
CID 6427771
Cyclo(D)-Pro-(D)-Phe
CID 6992199
(S)-N-((S)-1-cyclohexyl-2-oxo-2-((3aS,7aR)-5-phenethyloctahydro-1H-pyrrolo[3,2-c]pyridin-1-yl)ethyl)-2-(methylamino)propanamide
CID 53325387
N-hexyl-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 56683492
1-(2,2-Diphenylacetyl)imidazolidin-2-one
CID 674547
(3S)-3-benzyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 9837725
CID 6992198
CID 6992198
US10150767, Example 1
CID 137796651
US10150767, Example 23
CID 137796659
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(2-oxo-3-phenylpyrrolidin-1-yl)acetamide
CID 44374735

Frequently Asked Questions

What is the IUPAC name of 3-oxo-3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)-2-phenylpropanenitrile?
The IUPAC name of 3-oxo-3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)-2-phenylpropanenitrile (CID 79096457) is 3-oxo-3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)-2-phenylpropanenitrile.
What is the SMILES notation for 3-oxo-3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)-2-phenylpropanenitrile?
The canonical SMILES for 3-oxo-3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)-2-phenylpropanenitrile is N#CC(C(=O)N1CCN2C(=O)NCC2C1)c1ccccc1.
What is the InChIKey of 3-oxo-3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)-2-phenylpropanenitrile?
The InChIKey is SZFYKCFQBJYUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c16-8-13(11-4-2-1-3-5-11)14(20)18-6-7-19-12(10-18)9-17-15(19)21/h1-5,12-13H,6-7,9-10H2,(H,17,21).
What are the key properties of 3-oxo-3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)-2-phenylpropanenitrile?
3-oxo-3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)-2-phenylpropanenitrile has a molecular weight of 284.32 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)-2-phenylpropanenitrile is sourced from PubChem (CID 79096457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).