2-(2-methylphenyl)-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)isoindole-1,3-dione

C24H21N5O3 — CID 42022159

IUPAC2-(2-methylphenyl)-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)isoindole-1,3-dione
SMILESCc1ccccc1N1C(=O)c2ccc(C(=O)N3CCN(c4cnccn4)CC3)cc2C1=O
InChIInChI=1S/C24H21N5O3/c1-16-4-2-3-5-20(16)29-23(31)18-7-6-17(14-19(18)24(29)32)22(30)28-12-10-27(11-13-28)21-15-25-8-9-26-21/h2-9,14-15H,10-13H2,1H3
InChIKeyYRPMZZAZLPHUTO-UHFFFAOYSA-N
MW427.46 g/mol
LogP2.55
Rot. Bonds3

About 2-(2-methylphenyl)-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)isoindole-1,3-dione

2-(2-methylphenyl)-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)isoindole-1,3-dione (PubChem CID 42022159) has the molecular formula C24H21N5O3 and a molecular weight of 427.46 g/mol. Its IUPAC name is 2-(2-methylphenyl)-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-methylphenyl)-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)isoindole-1,3-dione
PubChem CID42022159
Molecular FormulaC24H21N5O3
Molecular Weight427.46 g/mol
Exact Mass427.16
IUPAC Name2-(2-methylphenyl)-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)isoindole-1,3-dione
SMILESCc1ccccc1N1C(=O)c2ccc(C(=O)N3CCN(c4cnccn4)CC3)cc2C1=O
InChIInChI=1S/C24H21N5O3/c1-16-4-2-3-5-20(16)29-23(31)18-7-6-17(14-19(18)24(29)32)22(30)28-12-10-27(11-13-28)21-15-25-8-9-26-21/h2-9,14-15H,10-13H2,1H3
InChIKeyYRPMZZAZLPHUTO-UHFFFAOYSA-N
XLogP2.55
TPSA86.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 52.55
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

2-(2,5-dimethylphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)isoindole-1,3-dione
CID 112790786
(3,5-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023194
(4-ethoxy-3-methylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 86938426
1,3-dioxo-2-pyrazin-2-ylisoindole-5-carboxylic acid
CID 43616140
(2,3-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023215
[3-(5,6-dimethyl-2-pyridinyl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 122559443
[4-(6-methylpyridazin-3-yl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 119066291
2-propan-2-yl-5-[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]isoindole-1,3-dione
CID 108534932
(3-nitro-4-pyrrolidin-1-ylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023060
(4-chlorophenyl)-(4-pyrazin-2-yl-1,4-diazepan-1-yl)methanone
CID 122132459
[4-[(R)-methylsulfinyl]phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 33113092
(1-phenylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42024013

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)isoindole-1,3-dione?
The IUPAC name of 2-(2-methylphenyl)-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)isoindole-1,3-dione (CID 42022159) is 2-(2-methylphenyl)-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2-methylphenyl)-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)isoindole-1,3-dione?
The canonical SMILES for 2-(2-methylphenyl)-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)isoindole-1,3-dione is Cc1ccccc1N1C(=O)c2ccc(C(=O)N3CCN(c4cnccn4)CC3)cc2C1=O.
What is the InChIKey of 2-(2-methylphenyl)-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)isoindole-1,3-dione?
The InChIKey is YRPMZZAZLPHUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3/c1-16-4-2-3-5-20(16)29-23(31)18-7-6-17(14-19(18)24(29)32)22(30)28-12-10-27(11-13-28)21-15-25-8-9-26-21/h2-9,14-15H,10-13H2,1H3.
What are the key properties of 2-(2-methylphenyl)-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)isoindole-1,3-dione?
2-(2-methylphenyl)-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)isoindole-1,3-dione has a molecular weight of 427.46 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)isoindole-1,3-dione is sourced from PubChem (CID 42022159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).