3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one

C17H17N3O2 — CID 91919657

IUPAC3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESO=C1NC(C(=O)N2CCc3ccccc3C2)Cn2cccc21
InChIInChI=1S/C17H17N3O2/c21-16-15-6-3-8-19(15)11-14(18-16)17(22)20-9-7-12-4-1-2-5-13(12)10-20/h1-6,8,14H,7,9-11H2,(H,18,21)
InChIKeyZGSYPGQNJGBRJZ-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.18
Rot. Bonds1

About 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one

3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 91919657) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID91919657
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESO=C1NC(C(=O)N2CCc3ccccc3C2)Cn2cccc21
InChIInChI=1S/C17H17N3O2/c21-16-15-6-3-8-19(15)11-14(18-16)17(22)20-9-7-12-4-1-2-5-13(12)10-20/h1-6,8,14H,7,9-11H2,(H,18,21)
InChIKeyZGSYPGQNJGBRJZ-UHFFFAOYSA-N
XLogP1.18
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one 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

3-(piperidine-1-carbonyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 110876473
1-cyclohexyl-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazolidin-2-one
CID 134800268
(7S)-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)azepan-2-one
CID 129402879
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)morpholin-3-one
CID 110696722
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)thiomorpholin-3-one
CID 110695458
cyclohexyl-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methanone
CID 38382766
3,4-dihydro-1H-isoquinolin-2-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119261638
1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]ethanone
CID 17127006
3,4-dihydro-1H-isoquinolin-2-yl(morpholin-3-yl)methanone;hydrochloride
CID 119669619
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexane-1-carboxylic acid
CID 4688630
3,4-dihydro-1H-isoquinolin-2-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 134034276
(3-aminocyclopentyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 66030477

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 91919657) is 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one is O=C1NC(C(=O)N2CCc3ccccc3C2)Cn2cccc21.
What is the InChIKey of 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is ZGSYPGQNJGBRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c21-16-15-6-3-8-19(15)11-14(18-16)17(22)20-9-7-12-4-1-2-5-13(12)10-20/h1-6,8,14H,7,9-11H2,(H,18,21).
What are the key properties of 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 295.34 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 91919657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).