3-[3-oxo-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]pyrimidin-4-one

C20H20N4O2 — CID 146128915

IUPAC3-[3-oxo-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]pyrimidin-4-one
SMILESO=C(CCn1cnccc1=O)N1CCn2cccc2C1c1ccccc1
InChIInChI=1S/C20H20N4O2/c25-18-8-10-21-15-23(18)12-9-19(26)24-14-13-22-11-4-7-17(22)20(24)16-5-2-1-3-6-16/h1-8,10-11,15,20H,9,12-14H2
InChIKeyANJNFIUYVIECOZ-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.07
Rot. Bonds4

About 3-[3-oxo-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]pyrimidin-4-one

3-[3-oxo-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]pyrimidin-4-one (PubChem CID 146128915) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-[3-oxo-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[3-oxo-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]pyrimidin-4-one
PubChem CID146128915
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name3-[3-oxo-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]pyrimidin-4-one
SMILESO=C(CCn1cnccc1=O)N1CCn2cccc2C1c1ccccc1
InChIInChI=1S/C20H20N4O2/c25-18-8-10-21-15-23(18)12-9-19(26)24-14-13-22-11-4-7-17(22)20(24)16-5-2-1-3-6-16/h1-8,10-11,15,20H,9,12-14H2
InChIKeyANJNFIUYVIECOZ-UHFFFAOYSA-N
XLogP2.07
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 110647019
6-bromo-3-[3-oxo-3-[(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propyl]quinazolin-4-one
CID 51935867
3-[3-oxo-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]-2H-phthalazine-1,4-dione
CID 47022598
1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 134054550
1-methyl-3-[4-oxo-4-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butyl]imidazolidine-2,4-dione
CID 134054478
3-methyl-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 4136305
1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylmethoxyethanone
CID 134054456
1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(5-phenylfuran-2-yl)propan-1-one
CID 42947726
2-(ethylamino)-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
CID 42797975
(1R)-1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 95762685
3-(3-methylphenyl)-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one
CID 134054526
1-benzyl-3-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]pyrimidine-2,4-dione
CID 112816698

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]pyrimidin-4-one?
The IUPAC name of 3-[3-oxo-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]pyrimidin-4-one (CID 146128915) is 3-[3-oxo-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]pyrimidin-4-one.
What is the SMILES notation for 3-[3-oxo-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]pyrimidin-4-one?
The canonical SMILES for 3-[3-oxo-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]pyrimidin-4-one is O=C(CCn1cnccc1=O)N1CCn2cccc2C1c1ccccc1.
What is the InChIKey of 3-[3-oxo-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]pyrimidin-4-one?
The InChIKey is ANJNFIUYVIECOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-18-8-10-21-15-23(18)12-9-19(26)24-14-13-22-11-4-7-17(22)20(24)16-5-2-1-3-6-16/h1-8,10-11,15,20H,9,12-14H2.
What are the key properties of 3-[3-oxo-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]pyrimidin-4-one?
3-[3-oxo-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]pyrimidin-4-one has a molecular weight of 348.41 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]pyrimidin-4-one is sourced from PubChem (CID 146128915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).