4-hydroxy-2-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]isoindole-1,3-dione

C23H15N3O3 — CID 69002352

IUPAC4-hydroxy-2-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]isoindole-1,3-dione
SMILESO=C1c2cccc(O)c2C(=O)N1c1ccccc1C=Cc1n[nH]c2ccccc12
InChIInChI=1S/C23H15N3O3/c27-20-11-5-8-16-21(20)23(29)26(22(16)28)19-10-4-1-6-14(19)12-13-18-15-7-2-3-9-17(15)24-25-18/h1-13,27H,(H,24,25)
InChIKeyRYAVWSDWOYGOKB-UHFFFAOYSA-N
MW381.39 g/mol
LogP4.24
Rot. Bonds3

About 4-hydroxy-2-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]isoindole-1,3-dione

4-hydroxy-2-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]isoindole-1,3-dione (PubChem CID 69002352) has the molecular formula C23H15N3O3 and a molecular weight of 381.39 g/mol. Its IUPAC name is 4-hydroxy-2-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name4-hydroxy-2-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]isoindole-1,3-dione
PubChem CID69002352
Molecular FormulaC23H15N3O3
Molecular Weight381.39 g/mol
Exact Mass381.11
IUPAC Name4-hydroxy-2-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]isoindole-1,3-dione
SMILESO=C1c2cccc(O)c2C(=O)N1c1ccccc1C=Cc1n[nH]c2ccccc12
InChIInChI=1S/C23H15N3O3/c27-20-11-5-8-16-21(20)23(29)26(22(16)28)19-10-4-1-6-14(19)12-13-18-15-7-2-3-9-17(15)24-25-18/h1-13,27H,(H,24,25)
InChIKeyRYAVWSDWOYGOKB-UHFFFAOYSA-N
XLogP4.24
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]isoindole-1,3-dione?
The IUPAC name of 4-hydroxy-2-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]isoindole-1,3-dione (CID 69002352) is 4-hydroxy-2-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]isoindole-1,3-dione.
What is the SMILES notation for 4-hydroxy-2-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]isoindole-1,3-dione?
The canonical SMILES for 4-hydroxy-2-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]isoindole-1,3-dione is O=C1c2cccc(O)c2C(=O)N1c1ccccc1C=Cc1n[nH]c2ccccc12.
What is the InChIKey of 4-hydroxy-2-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]isoindole-1,3-dione?
The InChIKey is RYAVWSDWOYGOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O3/c27-20-11-5-8-16-21(20)23(29)26(22(16)28)19-10-4-1-6-14(19)12-13-18-15-7-2-3-9-17(15)24-25-18/h1-13,27H,(H,24,25).
What are the key properties of 4-hydroxy-2-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]isoindole-1,3-dione?
4-hydroxy-2-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]isoindole-1,3-dione has a molecular weight of 381.39 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]isoindole-1,3-dione is sourced from PubChem (CID 69002352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).