2-[4-[(4-ethyl-1H-indazol-5-yl)oxy]cyclohexyl]isoindole-1,3-dione

C23H23N3O3 — CID 18447549

IUPAC2-[4-[(4-ethyl-1H-indazol-5-yl)oxy]cyclohexyl]isoindole-1,3-dione
SMILESCCc1c(OC2CCC(N3C(=O)c4ccccc4C3=O)CC2)ccc2[nH]ncc12
InChIInChI=1S/C23H23N3O3/c1-2-16-19-13-24-25-20(19)11-12-21(16)29-15-9-7-14(8-10-15)26-22(27)17-5-3-4-6-18(17)23(26)28/h3-6,11-15H,2,7-10H2,1H3,(H,24,25)
InChIKeyUNZQOYUYTFFRSK-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.11
Rot. Bonds4

About 2-[4-[(4-ethyl-1H-indazol-5-yl)oxy]cyclohexyl]isoindole-1,3-dione

2-[4-[(4-ethyl-1H-indazol-5-yl)oxy]cyclohexyl]isoindole-1,3-dione (PubChem CID 18447549) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-[4-[(4-ethyl-1H-indazol-5-yl)oxy]cyclohexyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-[(4-ethyl-1H-indazol-5-yl)oxy]cyclohexyl]isoindole-1,3-dione
PubChem CID18447549
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name2-[4-[(4-ethyl-1H-indazol-5-yl)oxy]cyclohexyl]isoindole-1,3-dione
SMILESCCc1c(OC2CCC(N3C(=O)c4ccccc4C3=O)CC2)ccc2[nH]ncc12
InChIInChI=1S/C23H23N3O3/c1-2-16-19-13-24-25-20(19)11-12-21(16)29-15-9-7-14(8-10-15)26-22(27)17-5-3-4-6-18(17)23(26)28/h3-6,11-15H,2,7-10H2,1H3,(H,24,25)
InChIKeyUNZQOYUYTFFRSK-UHFFFAOYSA-N
XLogP4.11
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-[(4-ethyl-1H-indazol-5-yl)oxy]cyclohexyl]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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-ethyl-1H-indazol-5-yl)oxy]cyclohexyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-[(4-ethyl-1H-indazol-5-yl)oxy]cyclohexyl]isoindole-1,3-dione (CID 18447549) is 2-[4-[(4-ethyl-1H-indazol-5-yl)oxy]cyclohexyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-[(4-ethyl-1H-indazol-5-yl)oxy]cyclohexyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-[(4-ethyl-1H-indazol-5-yl)oxy]cyclohexyl]isoindole-1,3-dione is CCc1c(OC2CCC(N3C(=O)c4ccccc4C3=O)CC2)ccc2[nH]ncc12.
What is the InChIKey of 2-[4-[(4-ethyl-1H-indazol-5-yl)oxy]cyclohexyl]isoindole-1,3-dione?
The InChIKey is UNZQOYUYTFFRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-2-16-19-13-24-25-20(19)11-12-21(16)29-15-9-7-14(8-10-15)26-22(27)17-5-3-4-6-18(17)23(26)28/h3-6,11-15H,2,7-10H2,1H3,(H,24,25).
What are the key properties of 2-[4-[(4-ethyl-1H-indazol-5-yl)oxy]cyclohexyl]isoindole-1,3-dione?
2-[4-[(4-ethyl-1H-indazol-5-yl)oxy]cyclohexyl]isoindole-1,3-dione has a molecular weight of 389.46 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-ethyl-1H-indazol-5-yl)oxy]cyclohexyl]isoindole-1,3-dione is sourced from PubChem (CID 18447549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).