5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-isoindole

C21H18N2 — CID 146848486

IUPAC5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-isoindole
SMILESCCc1cccc(-c2ncccc2-c2ccc3c(c2)C=NC3)c1
InChIInChI=1S/C21H18N2/c1-2-15-5-3-6-17(11-15)21-20(7-4-10-23-21)16-8-9-18-13-22-14-19(18)12-16/h3-12,14H,2,13H2,1H3
InChIKeySHVNGJLOULTNRD-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.91
Rot. Bonds3

About 5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-isoindole

5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-isoindole (PubChem CID 146848486) has the molecular formula C21H18N2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-isoindole.

Molecular Properties

Compound Name5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-isoindole
PubChem CID146848486
Molecular FormulaC21H18N2
Molecular Weight298.39 g/mol
Exact Mass298.15
IUPAC Name5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-isoindole
SMILESCCc1cccc(-c2ncccc2-c2ccc3c(c2)C=NC3)c1
InChIInChI=1S/C21H18N2/c1-2-15-5-3-6-17(11-15)21-20(7-4-10-23-21)16-8-9-18-13-22-14-19(18)12-16/h3-12,14H,2,13H2,1H3
InChIKeySHVNGJLOULTNRD-UHFFFAOYSA-N
XLogP4.91
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-isoindole 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

3-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile
CID 147128888
4-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol
CID 147129959
5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-indazole
CID 90095205
1-[[3-(1H-isoindol-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-2-one
CID 118940905
6-ethyl-1H-isoindole
CID 167577366
CID 143725407
CID 143725407
2-(2-ethylphenyl)-3-phenylpyridine
CID 175810753
2-(3-propylphenyl)pyridin-3-ol
CID 116546530
1-ethyl-3-phenylbenzene;propane
CID 145466525
4-(3-ethylphenyl)-2-phenylpyridine
CID 140601349
2,3,5-trichloro-6-(3-ethylphenyl)pyridine
CID 102752691
3-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyridine
CID 144943522

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-isoindole?
The IUPAC name of 5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-isoindole (CID 146848486) is 5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-isoindole.
What is the SMILES notation for 5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-isoindole?
The canonical SMILES for 5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-isoindole is CCc1cccc(-c2ncccc2-c2ccc3c(c2)C=NC3)c1.
What is the InChIKey of 5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-isoindole?
The InChIKey is SHVNGJLOULTNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2/c1-2-15-5-3-6-17(11-15)21-20(7-4-10-23-21)16-8-9-18-13-22-14-19(18)12-16/h3-12,14H,2,13H2,1H3.
What are the key properties of 5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-isoindole?
5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-isoindole has a molecular weight of 298.39 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-isoindole is sourced from PubChem (CID 146848486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).