4-[2-(1,3-dihydroisoindol-2-yl)ethyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole

C23H24FN3 — CID 11518071

IUPAC4-[2-(1,3-dihydroisoindol-2-yl)ethyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole
SMILESFc1ccc(-n2ncc3c2CCCC3CCN2Cc3ccccc3C2)cc1
InChIInChI=1S/C23H24FN3/c24-20-8-10-21(11-9-20)27-23-7-3-6-17(22(23)14-25-27)12-13-26-15-18-4-1-2-5-19(18)16-26/h1-2,4-5,8-11,14,17H,3,6-7,12-13,15-16H2
InChIKeyCZFPTWADABSZTM-UHFFFAOYSA-N
MW361.46 g/mol
LogP4.84
Rot. Bonds4

About 4-[2-(1,3-dihydroisoindol-2-yl)ethyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole

4-[2-(1,3-dihydroisoindol-2-yl)ethyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole (PubChem CID 11518071) has the molecular formula C23H24FN3 and a molecular weight of 361.46 g/mol. Its IUPAC name is 4-[2-(1,3-dihydroisoindol-2-yl)ethyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name4-[2-(1,3-dihydroisoindol-2-yl)ethyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole
PubChem CID11518071
Molecular FormulaC23H24FN3
Molecular Weight361.46 g/mol
Exact Mass361.20
IUPAC Name4-[2-(1,3-dihydroisoindol-2-yl)ethyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole
SMILESFc1ccc(-n2ncc3c2CCCC3CCN2Cc3ccccc3C2)cc1
InChIInChI=1S/C23H24FN3/c24-20-8-10-21(11-9-20)27-23-7-3-6-17(22(23)14-25-27)12-13-26-15-18-4-1-2-5-19(18)16-26/h1-2,4-5,8-11,14,17H,3,6-7,12-13,15-16H2
InChIKeyCZFPTWADABSZTM-UHFFFAOYSA-N
XLogP4.84
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[2-(1,3-dihydroisoindol-2-yl)ethyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole 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 4-[2-(1,3-dihydroisoindol-2-yl)ethyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole?
The IUPAC name of 4-[2-(1,3-dihydroisoindol-2-yl)ethyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole (CID 11518071) is 4-[2-(1,3-dihydroisoindol-2-yl)ethyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 4-[2-(1,3-dihydroisoindol-2-yl)ethyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 4-[2-(1,3-dihydroisoindol-2-yl)ethyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole is Fc1ccc(-n2ncc3c2CCCC3CCN2Cc3ccccc3C2)cc1.
What is the InChIKey of 4-[2-(1,3-dihydroisoindol-2-yl)ethyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole?
The InChIKey is CZFPTWADABSZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3/c24-20-8-10-21(11-9-20)27-23-7-3-6-17(22(23)14-25-27)12-13-26-15-18-4-1-2-5-19(18)16-26/h1-2,4-5,8-11,14,17H,3,6-7,12-13,15-16H2.
What are the key properties of 4-[2-(1,3-dihydroisoindol-2-yl)ethyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole?
4-[2-(1,3-dihydroisoindol-2-yl)ethyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole has a molecular weight of 361.46 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3-dihydroisoindol-2-yl)ethyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 11518071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).