2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethanol

C21H23ClFN3O2 — CID 91218245

IUPAC2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethanol
SMILESOCC(OCC1(c2ccc(F)cc2)CCNCC1)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C21H23ClFN3O2/c22-16-9-14-11-25-26-20(14)18(10-16)19(12-27)28-13-21(5-7-24-8-6-21)15-1-3-17(23)4-2-15/h1-4,9-11,19,24,27H,5-8,12-13H2,(H,25,26)
InChIKeyFPVBMSBRKUDHHS-UHFFFAOYSA-N
MW403.89 g/mol
LogP3.73
Rot. Bonds6

About 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethanol

2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethanol (PubChem CID 91218245) has the molecular formula C21H23ClFN3O2 and a molecular weight of 403.89 g/mol. Its IUPAC name is 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethanol.

Molecular Properties

Compound Name2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethanol
PubChem CID91218245
Molecular FormulaC21H23ClFN3O2
Molecular Weight403.89 g/mol
Exact Mass403.15
IUPAC Name2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethanol
SMILESOCC(OCC1(c2ccc(F)cc2)CCNCC1)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C21H23ClFN3O2/c22-16-9-14-11-25-26-20(14)18(10-16)19(12-27)28-13-21(5-7-24-8-6-21)15-1-3-17(23)4-2-15/h1-4,9-11,19,24,27H,5-8,12-13H2,(H,25,26)
InChIKeyFPVBMSBRKUDHHS-UHFFFAOYSA-N
XLogP3.73
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethanol 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

5-[[4-[(4-chloro-3-fluorophenyl)methoxy]piperidin-1-yl]methyl]-1H-indazole
CID 168287735
(S)-1-bicyclo[2.2.2]octanyl-(5-chloro-6-fluoro-1H-indazol-7-yl)methanol
CID 134368004
4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropylpiperidine-1-carboxamide
CID 134373553
4-[1-[(5-chloro-6-fluoro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-methylpiperidine-1-carboxamide
CID 134373753
3,5-dichloro-7-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-2H-indazole
CID 25134302
2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-N,N-dimethylethanamine
CID 25159407
2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]-N,N-dimethylethanamine
CID 25159408
5-chloro-7-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]propyl]-1H-indazole
CID 25159409
5-chloro-7-[2,2-difluoro-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole
CID 25159526
7-(((4-Phenylpiperidin-4-yl)methoxy)methyl)-5-(trifluoromethyl)-1H-indazole
CID 25159651
(+/-)-7-(1-((4-Phenylpiperidin-4-yl)methoxy)ethyl)-5-(trifluoromethyl)-1H-indazole
CID 25159918
(+/-)-7-(1-((4-(4-Fluorophenyl)-1-methylpiperidin-4-yl)methoxy)ethyl)-5-methyl-1H-indazole
CID 25160322

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethanol?
The IUPAC name of 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethanol (CID 91218245) is 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethanol.
What is the SMILES notation for 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethanol?
The canonical SMILES for 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethanol is OCC(OCC1(c2ccc(F)cc2)CCNCC1)c1cc(Cl)cc2cn[nH]c12.
What is the InChIKey of 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethanol?
The InChIKey is FPVBMSBRKUDHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFN3O2/c22-16-9-14-11-25-26-20(14)18(10-16)19(12-27)28-13-21(5-7-24-8-6-21)15-1-3-17(23)4-2-15/h1-4,9-11,19,24,27H,5-8,12-13H2,(H,25,26).
What are the key properties of 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethanol?
2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethanol has a molecular weight of 403.89 g/mol, XLogP of 3.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethanol is sourced from PubChem (CID 91218245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).