2-[1-[3-(5-chloropyrazin-2-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione

C18H12ClN5O2 — CID 166162262

IUPAC2-[1-[3-(5-chloropyrazin-2-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione
SMILESCC(c1nccnc1-c1cnc(Cl)cn1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H12ClN5O2/c1-10(24-17(25)11-4-2-3-5-12(11)18(24)26)15-16(21-7-6-20-15)13-8-23-14(19)9-22-13/h2-10H,1H3
InChIKeyTUPFSEOAMOXUFQ-UHFFFAOYSA-N
MW365.78 g/mol
LogP2.94
Rot. Bonds3

About 2-[1-[3-(5-chloropyrazin-2-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione

2-[1-[3-(5-chloropyrazin-2-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione (PubChem CID 166162262) has the molecular formula C18H12ClN5O2 and a molecular weight of 365.78 g/mol. Its IUPAC name is 2-[1-[3-(5-chloropyrazin-2-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-[3-(5-chloropyrazin-2-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione
PubChem CID166162262
Molecular FormulaC18H12ClN5O2
Molecular Weight365.78 g/mol
Exact Mass365.07
IUPAC Name2-[1-[3-(5-chloropyrazin-2-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione
SMILESCC(c1nccnc1-c1cnc(Cl)cn1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H12ClN5O2/c1-10(24-17(25)11-4-2-3-5-12(11)18(24)26)15-16(21-7-6-20-15)13-8-23-14(19)9-22-13/h2-10H,1H3
InChIKeyTUPFSEOAMOXUFQ-UHFFFAOYSA-N
XLogP2.94
TPSA88.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.78
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Phthalimide, N-3-pyridyl-
CID 167793
2-(2-(Pyridin-2-yl)ethyl)-1H-isoindole-1,3(2H)-dione
CID 231380
2-(Pyridin-3-ylmethyl)isoindoline-1,3-dione
CID 709455
2-[2-[4-(13-Chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 10720216
3-oxo-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-isoindole-4-carboxamide
CID 73603315
3-oxo-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-isoindole-4-carboxamide
CID 73776939
3-Methyl-pyridine-2-carboxylic acid [5-(6-chloro-1,1-dimethyl-3-oxo-1,3-dihydro-isoindol-2-yl)-pyridin-3-ylmethyl]-amide
CID 86686005
2-[5-(4-Acetyl-piperazin-1-yl)-pyridin-3-yl]-5-chloro-3,3-dimethyl-2,3-dihydro-isoindol-1-one
CID 86686014
3-benzyl-5-chloro-2-pyridin-3-yl-3H-isoindol-1-one
CID 89599882
5-chloro-3-methyl-2-pyridin-3-yl-3H-isoindol-1-one
CID 89599943
2-[5-(1-Acetylpiperidin-4-yl)-3-pyridinyl]-5-chloro-3,3-dimethylisoindol-1-one
CID 89600371
5-chloro-3-ethyl-2-pyridin-3-yl-3H-isoindol-1-one
CID 89600609

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(5-chloropyrazin-2-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[1-[3-(5-chloropyrazin-2-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione (CID 166162262) is 2-[1-[3-(5-chloropyrazin-2-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-[3-(5-chloropyrazin-2-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-[3-(5-chloropyrazin-2-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione is CC(c1nccnc1-c1cnc(Cl)cn1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[1-[3-(5-chloropyrazin-2-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione?
The InChIKey is TUPFSEOAMOXUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN5O2/c1-10(24-17(25)11-4-2-3-5-12(11)18(24)26)15-16(21-7-6-20-15)13-8-23-14(19)9-22-13/h2-10H,1H3.
What are the key properties of 2-[1-[3-(5-chloropyrazin-2-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione?
2-[1-[3-(5-chloropyrazin-2-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione has a molecular weight of 365.78 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(5-chloropyrazin-2-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 166162262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).