2-[1-(3-chlorophenyl)-5-(4-methylphenyl)-4,6-dioxo-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]isoindole-1,3-dione

C34H23ClN6O5 — CID 169409796

IUPAC2-[1-(3-chlorophenyl)-5-(4-methylphenyl)-4,6-dioxo-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]isoindole-1,3-dione
SMILESCc1ccc(N2C(=O)C3C(C2=O)C(c2nc(-c4cccnc4)no2)N(N2C(=O)c4ccccc4C2=O)C3c2cccc(Cl)c2)cc1
InChIInChI=1S/C34H23ClN6O5/c1-18-11-13-22(14-12-18)39-33(44)25-26(34(39)45)28(30-37-29(38-46-30)20-7-5-15-36-17-20)40(27(25)19-6-4-8-21(35)16-19)41-31(42)23-9-2-3-10-24(23)32(41)43/h2-17,25-28H,1H3
InChIKeyUWBUWIUKMHPVHK-UHFFFAOYSA-N
MW631.05 g/mol
LogP5.21
Rot. Bonds5

About 2-[1-(3-chlorophenyl)-5-(4-methylphenyl)-4,6-dioxo-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]isoindole-1,3-dione

2-[1-(3-chlorophenyl)-5-(4-methylphenyl)-4,6-dioxo-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]isoindole-1,3-dione (PubChem CID 169409796) has the molecular formula C34H23ClN6O5 and a molecular weight of 631.05 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)-5-(4-methylphenyl)-4,6-dioxo-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)-5-(4-methylphenyl)-4,6-dioxo-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]isoindole-1,3-dione
PubChem CID169409796
Molecular FormulaC34H23ClN6O5
Molecular Weight631.05 g/mol
Exact Mass630.14
IUPAC Name2-[1-(3-chlorophenyl)-5-(4-methylphenyl)-4,6-dioxo-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]isoindole-1,3-dione
SMILESCc1ccc(N2C(=O)C3C(C2=O)C(c2nc(-c4cccnc4)no2)N(N2C(=O)c4ccccc4C2=O)C3c2cccc(Cl)c2)cc1
InChIInChI=1S/C34H23ClN6O5/c1-18-11-13-22(14-12-18)39-33(44)25-26(34(39)45)28(30-37-29(38-46-30)20-7-5-15-36-17-20)40(27(25)19-6-4-8-21(35)16-19)41-31(42)23-9-2-3-10-24(23)32(41)43/h2-17,25-28H,1H3
InChIKeyUWBUWIUKMHPVHK-UHFFFAOYSA-N
XLogP5.21
TPSA129.81 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.05
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[1-(3-chlorophenyl)-5-(4-methylphenyl)-4,6-dioxo-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]isoindole-1,3-dione 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

2-[5-(4-chlorophenyl)-4,6-dioxo-1-phenyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]isoindole-1,3-dione
CID 169409790
2-[4,6-dioxo-1,5-diphenyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]isoindole-1,3-dione
CID 169409788
2-[2-phenyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aziridin-1-yl]isoindole-1,3-dione
CID 169409659
5-[5-(3-chlorophenyl)pyrazolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 75975201
(4R)-4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 42586046
(4R)-1-(3-chlorophenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 93492742
4-[(3R,3aS,6aR)-3-(3-chlorophenyl)-2-(4-methylphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoic acid
CID 70697116
4-(3-chlorophenyl)sulfonyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine
CID 110224506
(2R)-4-(3-chlorophenyl)sulfonyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine
CID 92568402
3-(4-methylphenyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527948
(1R,2S,6R,7S,8R,10S)-9-(3-chlorophenyl)-4-(4-methylphenyl)-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
CID 102129670
(4S)-1-(3-fluoro-4-methylphenyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 41015242

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)-5-(4-methylphenyl)-4,6-dioxo-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[1-(3-chlorophenyl)-5-(4-methylphenyl)-4,6-dioxo-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]isoindole-1,3-dione (CID 169409796) is 2-[1-(3-chlorophenyl)-5-(4-methylphenyl)-4,6-dioxo-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-(3-chlorophenyl)-5-(4-methylphenyl)-4,6-dioxo-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-(3-chlorophenyl)-5-(4-methylphenyl)-4,6-dioxo-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]isoindole-1,3-dione is Cc1ccc(N2C(=O)C3C(C2=O)C(c2nc(-c4cccnc4)no2)N(N2C(=O)c4ccccc4C2=O)C3c2cccc(Cl)c2)cc1.
What is the InChIKey of 2-[1-(3-chlorophenyl)-5-(4-methylphenyl)-4,6-dioxo-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]isoindole-1,3-dione?
The InChIKey is UWBUWIUKMHPVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23ClN6O5/c1-18-11-13-22(14-12-18)39-33(44)25-26(34(39)45)28(30-37-29(38-46-30)20-7-5-15-36-17-20)40(27(25)19-6-4-8-21(35)16-19)41-31(42)23-9-2-3-10-24(23)32(41)43/h2-17,25-28H,1H3.
What are the key properties of 2-[1-(3-chlorophenyl)-5-(4-methylphenyl)-4,6-dioxo-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]isoindole-1,3-dione?
2-[1-(3-chlorophenyl)-5-(4-methylphenyl)-4,6-dioxo-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]isoindole-1,3-dione has a molecular weight of 631.05 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)-5-(4-methylphenyl)-4,6-dioxo-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 169409796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).