3-(4-pyrazin-2-ylpiperazine-1-carbonyl)-2H-isoquinolin-1-one

C18H17N5O2 — CID 33112769

IUPAC3-(4-pyrazin-2-ylpiperazine-1-carbonyl)-2H-isoquinolin-1-one
SMILESO=C(c1cc2ccccc2c(=O)[nH]1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C18H17N5O2/c24-17-14-4-2-1-3-13(14)11-15(21-17)18(25)23-9-7-22(8-10-23)16-12-19-5-6-20-16/h1-6,11-12H,7-10H2,(H,21,24)
InChIKeyMWROUGFGKQLTKJ-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.28
Rot. Bonds2

About 3-(4-pyrazin-2-ylpiperazine-1-carbonyl)-2H-isoquinolin-1-one

3-(4-pyrazin-2-ylpiperazine-1-carbonyl)-2H-isoquinolin-1-one (PubChem CID 33112769) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 3-(4-pyrazin-2-ylpiperazine-1-carbonyl)-2H-isoquinolin-1-one.

Molecular Properties

Compound Name3-(4-pyrazin-2-ylpiperazine-1-carbonyl)-2H-isoquinolin-1-one
PubChem CID33112769
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name3-(4-pyrazin-2-ylpiperazine-1-carbonyl)-2H-isoquinolin-1-one
SMILESO=C(c1cc2ccccc2c(=O)[nH]1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C18H17N5O2/c24-17-14-4-2-1-3-13(14)11-15(21-17)18(25)23-9-7-22(8-10-23)16-12-19-5-6-20-16/h1-6,11-12H,7-10H2,(H,21,24)
InChIKeyMWROUGFGKQLTKJ-UHFFFAOYSA-N
XLogP1.28
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-pyrazin-2-ylpiperazine-1-carbonyl)-2H-isoquinolin-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-(4-pyridin-4-ylpiperazine-1-carbonyl)-2H-isoquinolin-1-one
CID 56810086
3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-2H-isoquinolin-1-one
CID 36513690
(3-phenyl-1H-pyrazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42024085
2-propan-2-yl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phthalazin-1-one
CID 138999284
[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 29029295
2-(4-pyridin-2-ylpiperazine-1-carbonyl)-3H-quinazolin-4-one
CID 135877794
N-benzyl-2-[4-(1-oxo-2H-isoquinoline-3-carbonyl)piperazin-1-yl]acetamide
CID 37118871
1H-indol-2-yl-[4-(1,6-naphthyridin-4-yl)piperazin-1-yl]methanone
CID 155951108
3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2H-isoquinolin-1-one
CID 120660187
(4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 13298543
(4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone
CID 146124118
(2-methylsulfanyl-3-pyridinyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023433

Frequently Asked Questions

What is the IUPAC name of 3-(4-pyrazin-2-ylpiperazine-1-carbonyl)-2H-isoquinolin-1-one?
The IUPAC name of 3-(4-pyrazin-2-ylpiperazine-1-carbonyl)-2H-isoquinolin-1-one (CID 33112769) is 3-(4-pyrazin-2-ylpiperazine-1-carbonyl)-2H-isoquinolin-1-one.
What is the SMILES notation for 3-(4-pyrazin-2-ylpiperazine-1-carbonyl)-2H-isoquinolin-1-one?
The canonical SMILES for 3-(4-pyrazin-2-ylpiperazine-1-carbonyl)-2H-isoquinolin-1-one is O=C(c1cc2ccccc2c(=O)[nH]1)N1CCN(c2cnccn2)CC1.
What is the InChIKey of 3-(4-pyrazin-2-ylpiperazine-1-carbonyl)-2H-isoquinolin-1-one?
The InChIKey is MWROUGFGKQLTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c24-17-14-4-2-1-3-13(14)11-15(21-17)18(25)23-9-7-22(8-10-23)16-12-19-5-6-20-16/h1-6,11-12H,7-10H2,(H,21,24).
What are the key properties of 3-(4-pyrazin-2-ylpiperazine-1-carbonyl)-2H-isoquinolin-1-one?
3-(4-pyrazin-2-ylpiperazine-1-carbonyl)-2H-isoquinolin-1-one has a molecular weight of 335.37 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyrazin-2-ylpiperazine-1-carbonyl)-2H-isoquinolin-1-one is sourced from PubChem (CID 33112769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).