2-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3H-isoindol-1-one

C23H17N3O — CID 69001737

IUPAC2-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1c1ccccc1C=Cc1n[nH]c2ccccc12
InChIInChI=1S/C23H17N3O/c27-23-18-9-3-1-8-17(18)15-26(23)22-12-6-2-7-16(22)13-14-21-19-10-4-5-11-20(19)24-25-21/h1-14H,15H2,(H,24,25)
InChIKeyJSCAGBSBPUIPTJ-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.89
Rot. Bonds3

About 2-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3H-isoindol-1-one

2-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3H-isoindol-1-one (PubChem CID 69001737) has the molecular formula C23H17N3O and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3H-isoindol-1-one
PubChem CID69001737
Molecular FormulaC23H17N3O
Molecular Weight351.41 g/mol
Exact Mass351.14
IUPAC Name2-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1c1ccccc1C=Cc1n[nH]c2ccccc12
InChIInChI=1S/C23H17N3O/c27-23-18-9-3-1-8-17(18)15-26(23)22-12-6-2-7-16(22)13-14-21-19-10-4-5-11-20(19)24-25-21/h1-14H,15H2,(H,24,25)
InChIKeyJSCAGBSBPUIPTJ-UHFFFAOYSA-N
XLogP4.89
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3H-isoindol-1-one?
The IUPAC name of 2-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3H-isoindol-1-one (CID 69001737) is 2-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3H-isoindol-1-one.
What is the SMILES notation for 2-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3H-isoindol-1-one?
The canonical SMILES for 2-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3H-isoindol-1-one is O=C1c2ccccc2CN1c1ccccc1C=Cc1n[nH]c2ccccc12.
What is the InChIKey of 2-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3H-isoindol-1-one?
The InChIKey is JSCAGBSBPUIPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O/c27-23-18-9-3-1-8-17(18)15-26(23)22-12-6-2-7-16(22)13-14-21-19-10-4-5-11-20(19)24-25-21/h1-14H,15H2,(H,24,25).
What are the key properties of 2-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3H-isoindol-1-one?
2-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3H-isoindol-1-one has a molecular weight of 351.41 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3H-isoindol-1-one is sourced from PubChem (CID 69001737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).