7-fluoro-6-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]oxyisoquinoline;hydrochloride

C22H22ClFN4O — CID 162313915

IUPAC7-fluoro-6-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]oxyisoquinoline;hydrochloride
SMILESCl.Fc1cc2cnccc2cc1OC1CCN(Cc2[nH]nc3ccccc23)CC1
InChIInChI=1S/C22H21FN4O.ClH/c23-19-11-16-13-24-8-5-15(16)12-22(19)28-17-6-9-27(10-7-17)14-21-18-3-1-2-4-20(18)25-26-21;/h1-5,8,11-13,17H,6-7,9-10,14H2,(H,25,26);1H
InChIKeyPEVLPOILJUFNQK-UHFFFAOYSA-N
MW412.90 g/mol
LogP4.72
Rot. Bonds4

About 7-fluoro-6-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]oxyisoquinoline;hydrochloride

7-fluoro-6-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]oxyisoquinoline;hydrochloride (PubChem CID 162313915) has the molecular formula C22H22ClFN4O and a molecular weight of 412.90 g/mol. Its IUPAC name is 7-fluoro-6-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]oxyisoquinoline;hydrochloride.

Molecular Properties

Compound Name7-fluoro-6-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]oxyisoquinoline;hydrochloride
PubChem CID162313915
Molecular FormulaC22H22ClFN4O
Molecular Weight412.90 g/mol
Exact Mass412.15
IUPAC Name7-fluoro-6-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]oxyisoquinoline;hydrochloride
SMILESCl.Fc1cc2cnccc2cc1OC1CCN(Cc2[nH]nc3ccccc23)CC1
InChIInChI=1S/C22H21FN4O.ClH/c23-19-11-16-13-24-8-5-15(16)12-22(19)28-17-6-9-27(10-7-17)14-21-18-3-1-2-4-20(18)25-26-21;/h1-5,8,11-13,17H,6-7,9-10,14H2,(H,25,26);1H
InChIKeyPEVLPOILJUFNQK-UHFFFAOYSA-N
XLogP4.72
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.90
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-fluoro-6-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]oxyisoquinoline;hydrochloride 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

6-(1-butylpiperidin-4-yl)oxy-7-fluoroisoquinoline;hydrochloride
CID 86252407
7-fluoro-6-[1-(3-methylbutyl)piperidin-4-yl]oxyisoquinoline;hydrochloride
CID 162313711
7-methyl-6-[1-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-4-yl]oxyisoquinoline;hydrochloride
CID 162312530
3-[(4-benzylpiperazin-1-yl)methyl]-2H-indazole
CID 23194192
6-[1-[(5-fluoro-2-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-7-methylisoquinoline;hydrochloride
CID 162308654
1-[4-(7-fluoroisoquinolin-6-yl)oxy-1-phenylcyclohexyl]propan-1-amine
CID 58381032
3-[[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-2H-indazole
CID 70693471
(3aR,5R,6R,7aS)-6-(4-fluorophenoxy)-2-(2H-indazol-3-ylmethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 172662212
3-(piperazin-1-ylmethyl)-2H-pyrazolo[4,3-c]pyridine
CID 84682992
3-fluoro-4-[1-[(1-oxo-2H-isoquinolin-4-yl)methyl]piperidin-4-yl]oxybenzonitrile
CID 166265313
3-[(4-isoquinolin-6-yloxypiperidin-1-yl)methyl]phenol
CID 143380555
[4-(7-chloroisoquinolin-6-yl)oxycyclohexyl]-naphthalen-1-ylmethanamine
CID 67128253

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]oxyisoquinoline;hydrochloride?
The IUPAC name of 7-fluoro-6-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]oxyisoquinoline;hydrochloride (CID 162313915) is 7-fluoro-6-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]oxyisoquinoline;hydrochloride.
What is the SMILES notation for 7-fluoro-6-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]oxyisoquinoline;hydrochloride?
The canonical SMILES for 7-fluoro-6-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]oxyisoquinoline;hydrochloride is Cl.Fc1cc2cnccc2cc1OC1CCN(Cc2[nH]nc3ccccc23)CC1.
What is the InChIKey of 7-fluoro-6-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]oxyisoquinoline;hydrochloride?
The InChIKey is PEVLPOILJUFNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O.ClH/c23-19-11-16-13-24-8-5-15(16)12-22(19)28-17-6-9-27(10-7-17)14-21-18-3-1-2-4-20(18)25-26-21;/h1-5,8,11-13,17H,6-7,9-10,14H2,(H,25,26);1H.
What are the key properties of 7-fluoro-6-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]oxyisoquinoline;hydrochloride?
7-fluoro-6-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]oxyisoquinoline;hydrochloride has a molecular weight of 412.90 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]oxyisoquinoline;hydrochloride is sourced from PubChem (CID 162313915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).