2-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-4-hydroxyisoindole-1,3-dione;hydrochloride

C22H22ClFN4O3 — CID 142696227

IUPAC2-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-4-hydroxyisoindole-1,3-dione;hydrochloride
SMILESCl.O=C1c2cccc(O)c2C(=O)N1CCN1CCC(c2[nH]nc3cc(F)ccc23)CC1
InChIInChI=1S/C22H21FN4O3.ClH/c23-14-4-5-15-17(12-14)24-25-20(15)13-6-8-26(9-7-13)10-11-27-21(29)16-2-1-3-18(28)19(16)22(27)30;/h1-5,12-13,28H,6-11H2,(H,24,25);1H
InChIKeyJJVRCUFWUGGTCT-UHFFFAOYSA-N
MW444.89 g/mol
LogP3.31
Rot. Bonds4

About 2-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-4-hydroxyisoindole-1,3-dione;hydrochloride

2-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-4-hydroxyisoindole-1,3-dione;hydrochloride (PubChem CID 142696227) has the molecular formula C22H22ClFN4O3 and a molecular weight of 444.89 g/mol. Its IUPAC name is 2-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-4-hydroxyisoindole-1,3-dione;hydrochloride.

Molecular Properties

Compound Name2-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-4-hydroxyisoindole-1,3-dione;hydrochloride
PubChem CID142696227
Molecular FormulaC22H22ClFN4O3
Molecular Weight444.89 g/mol
Exact Mass444.14
IUPAC Name2-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-4-hydroxyisoindole-1,3-dione;hydrochloride
SMILESCl.O=C1c2cccc(O)c2C(=O)N1CCN1CCC(c2[nH]nc3cc(F)ccc23)CC1
InChIInChI=1S/C22H21FN4O3.ClH/c23-14-4-5-15-17(12-14)24-25-20(15)13-6-8-26(9-7-13)10-11-27-21(29)16-2-1-3-18(28)19(16)22(27)30;/h1-5,12-13,28H,6-11H2,(H,24,25);1H
InChIKeyJJVRCUFWUGGTCT-UHFFFAOYSA-N
XLogP3.31
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.89
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-4-hydroxyisoindole-1,3-dione;hydrochloride 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-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-4-hydroxyisoindole-1,3-dione;hydrochloride?
The IUPAC name of 2-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-4-hydroxyisoindole-1,3-dione;hydrochloride (CID 142696227) is 2-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-4-hydroxyisoindole-1,3-dione;hydrochloride.
What is the SMILES notation for 2-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-4-hydroxyisoindole-1,3-dione;hydrochloride?
The canonical SMILES for 2-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-4-hydroxyisoindole-1,3-dione;hydrochloride is Cl.O=C1c2cccc(O)c2C(=O)N1CCN1CCC(c2[nH]nc3cc(F)ccc23)CC1.
What is the InChIKey of 2-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-4-hydroxyisoindole-1,3-dione;hydrochloride?
The InChIKey is JJVRCUFWUGGTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O3.ClH/c23-14-4-5-15-17(12-14)24-25-20(15)13-6-8-26(9-7-13)10-11-27-21(29)16-2-1-3-18(28)19(16)22(27)30;/h1-5,12-13,28H,6-11H2,(H,24,25);1H.
What are the key properties of 2-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-4-hydroxyisoindole-1,3-dione;hydrochloride?
2-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-4-hydroxyisoindole-1,3-dione;hydrochloride has a molecular weight of 444.89 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-4-hydroxyisoindole-1,3-dione;hydrochloride is sourced from PubChem (CID 142696227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).