2-[1-[3-(6-ethoxypyridazin-3-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione

C20H17N5O3 — CID 171813881

IUPAC2-[1-[3-(6-ethoxypyridazin-3-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione
SMILESCCOc1ccc(-c2nccnc2C(C)N2C(=O)c3ccccc3C2=O)nn1
InChIInChI=1S/C20H17N5O3/c1-3-28-16-9-8-15(23-24-16)18-17(21-10-11-22-18)12(2)25-19(26)13-6-4-5-7-14(13)20(25)27/h4-12H,3H2,1-2H3
InChIKeySUHBRMRWBBFJKQ-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.69
Rot. Bonds5

About 2-[1-[3-(6-ethoxypyridazin-3-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione

2-[1-[3-(6-ethoxypyridazin-3-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione (PubChem CID 171813881) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 2-[1-[3-(6-ethoxypyridazin-3-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-[3-(6-ethoxypyridazin-3-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione
PubChem CID171813881
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Name2-[1-[3-(6-ethoxypyridazin-3-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione
SMILESCCOc1ccc(-c2nccnc2C(C)N2C(=O)c3ccccc3C2=O)nn1
InChIInChI=1S/C20H17N5O3/c1-3-28-16-9-8-15(23-24-16)18-17(21-10-11-22-18)12(2)25-19(26)13-6-4-5-7-14(13)20(25)27/h4-12H,3H2,1-2H3
InChIKeySUHBRMRWBBFJKQ-UHFFFAOYSA-N
XLogP2.69
TPSA98.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[1-[3-(1-methyltriazol-4-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione
CID 162524184
2-[(1R)-1-(3-pyrimidin-2-ylpyrazin-2-yl)ethyl]isoindole-1,3-dione
CID 175763137
1-[3-(6-ethoxypyridazin-3-yl)pyrazin-2-yl]ethanol
CID 171813872
2-[1-[3-(5-chloropyrazin-2-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione
CID 166162262
2-[(1R)-1-[3-[1-(1-methylpyrazol-3-yl)triazol-4-yl]pyrazin-2-yl]ethyl]isoindole-1,3-dione
CID 175870166
2-[1-[3-(2,4-diethoxyphenyl)-2-pyridinyl]ethyl]isoindole-1,3-dione
CID 142665166
1-[3-(6-methoxypyridazin-3-yl)pyrazin-2-yl]ethylazanium
CID 171813889
2-[(3-butoxy-4-methoxyphenyl)-(3-chloropyrazin-2-yl)methyl]isoindole-1,3-dione
CID 88907568
2-[(1S)-1-phenylethyl]isoindole-1,3-dione
CID 792943
2-[(1S)-1-(2-chloro-7-fluoroquinolin-3-yl)ethyl]isoindole-1,3-dione;2-[(1S)-1-(7-fluoro-2-pyridin-2-ylquinolin-3-yl)ethyl]isoindole-1,3-dione
CID 159326068
2-[(1S)-1-[2-(difluoromethoxy)phenyl]ethyl]isoindole-1,3-dione
CID 118168964
2-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]isoindole-1,3-dione
CID 18477617

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(6-ethoxypyridazin-3-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[1-[3-(6-ethoxypyridazin-3-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione (CID 171813881) is 2-[1-[3-(6-ethoxypyridazin-3-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-[3-(6-ethoxypyridazin-3-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-[3-(6-ethoxypyridazin-3-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione is CCOc1ccc(-c2nccnc2C(C)N2C(=O)c3ccccc3C2=O)nn1.
What is the InChIKey of 2-[1-[3-(6-ethoxypyridazin-3-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione?
The InChIKey is SUHBRMRWBBFJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-3-28-16-9-8-15(23-24-16)18-17(21-10-11-22-18)12(2)25-19(26)13-6-4-5-7-14(13)20(25)27/h4-12H,3H2,1-2H3.
What are the key properties of 2-[1-[3-(6-ethoxypyridazin-3-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione?
2-[1-[3-(6-ethoxypyridazin-3-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione has a molecular weight of 375.39 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(6-ethoxypyridazin-3-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 171813881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).