2-[2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethyl]isoindole-1,3-dione

C22H20N4O2 — CID 130303053

IUPAC2-[2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCc1ccc(N2CCn3ccnc3C2)cc1
InChIInChI=1S/C22H20N4O2/c27-21-18-3-1-2-4-19(18)22(28)26(21)11-9-16-5-7-17(8-6-16)25-14-13-24-12-10-23-20(24)15-25/h1-8,10,12H,9,11,13-15H2
InChIKeyQTFJLVKLUXRLPT-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.74
Rot. Bonds4

About 2-[2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethyl]isoindole-1,3-dione

2-[2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethyl]isoindole-1,3-dione (PubChem CID 130303053) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-[2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethyl]isoindole-1,3-dione
PubChem CID130303053
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name2-[2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCc1ccc(N2CCn3ccnc3C2)cc1
InChIInChI=1S/C22H20N4O2/c27-21-18-3-1-2-4-19(18)22(28)26(21)11-9-16-5-7-17(8-6-16)25-14-13-24-12-10-23-20(24)15-25/h1-8,10,12H,9,11,13-15H2
InChIKeyQTFJLVKLUXRLPT-UHFFFAOYSA-N
XLogP2.74
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-sulfanylphenyl)ethyl]isoindole-1,3-dione
CID 53469378
2-[2-(4-aminophenyl)ethyl]isoindole-1,3-dione
CID 10849371
5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)furan-2-carboxylic acid
CID 63024947
(1S)-1-[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-pyridinyl]ethanol
CID 83132492
2-[2-(4-phenoxyphenyl)ethyl]isoindole-1,3-dione
CID 57228400
2-[2-[4-[(E)-2-phenylethenyl]phenyl]ethyl]isoindole-1,3-dione
CID 15036635
[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-pyridinyl]methanamine
CID 63013342
6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridin-2-amine
CID 80653308
2-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]isoindole-1,3-dione;hydrochloride
CID 3088495
1-benzyl-4-(4-phenylbutyl)piperazine;2-[4-(4-phenylpiperazin-1-yl)butyl]isoindole-1,3-dione
CID 67835959
2-(2-anthracen-2-ylethyl)isoindole-1,3-dione
CID 102026438
N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 16889210

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethyl]isoindole-1,3-dione (CID 130303053) is 2-[2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCc1ccc(N2CCn3ccnc3C2)cc1.
What is the InChIKey of 2-[2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethyl]isoindole-1,3-dione?
The InChIKey is QTFJLVKLUXRLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c27-21-18-3-1-2-4-19(18)22(28)26(21)11-9-16-5-7-17(8-6-16)25-14-13-24-12-10-23-20(24)15-25/h1-8,10,12H,9,11,13-15H2.
What are the key properties of 2-[2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethyl]isoindole-1,3-dione?
2-[2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethyl]isoindole-1,3-dione has a molecular weight of 372.43 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 130303053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).