5-fluoro-1-(2-fluorophenyl)-3-[(4-methylpiperidin-4-yl)methoxy]indazole;hydron;chloride

C20H22ClF2N3O — CID 68570920

IUPAC5-fluoro-1-(2-fluorophenyl)-3-[(4-methylpiperidin-4-yl)methoxy]indazole;hydron;chloride
SMILESCC1(COc2nn(-c3ccccc3F)c3ccc(F)cc23)CCNCC1.[Cl-].[H+]
InChIInChI=1S/C20H21F2N3O.ClH/c1-20(8-10-23-11-9-20)13-26-19-15-12-14(21)6-7-17(15)25(24-19)18-5-3-2-4-16(18)22;/h2-7,12,23H,8-11,13H2,1H3;1H
InChIKeyLFEBVPNJMCMCEB-UHFFFAOYSA-N
MW393.87 g/mol
LogP1.19
Rot. Bonds4

About 5-fluoro-1-(2-fluorophenyl)-3-[(4-methylpiperidin-4-yl)methoxy]indazole;hydron;chloride

5-fluoro-1-(2-fluorophenyl)-3-[(4-methylpiperidin-4-yl)methoxy]indazole;hydron;chloride (PubChem CID 68570920) has the molecular formula C20H22ClF2N3O and a molecular weight of 393.87 g/mol. Its IUPAC name is 5-fluoro-1-(2-fluorophenyl)-3-[(4-methylpiperidin-4-yl)methoxy]indazole;hydron;chloride.

Molecular Properties

Compound Name5-fluoro-1-(2-fluorophenyl)-3-[(4-methylpiperidin-4-yl)methoxy]indazole;hydron;chloride
PubChem CID68570920
Molecular FormulaC20H22ClF2N3O
Molecular Weight393.87 g/mol
Exact Mass393.14
IUPAC Name5-fluoro-1-(2-fluorophenyl)-3-[(4-methylpiperidin-4-yl)methoxy]indazole;hydron;chloride
SMILESCC1(COc2nn(-c3ccccc3F)c3ccc(F)cc23)CCNCC1.[Cl-].[H+]
InChIInChI=1S/C20H21F2N3O.ClH/c1-20(8-10-23-11-9-20)13-26-19-15-12-14(21)6-7-17(15)25(24-19)18-5-3-2-4-16(18)22;/h2-7,12,23H,8-11,13H2,1H3;1H
InChIKeyLFEBVPNJMCMCEB-UHFFFAOYSA-N
XLogP1.19
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-1-(2-fluorophenyl)-3-[(4-methylpiperidin-4-yl)methoxy]indazole;hydron;chloride 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

Benzydamine
CID 12555
Benzydamine Hydrochloride
CID 65464
1-{5-[(2,5-difluorobenzyl)oxy]-1-(3,3-dimethylbutyl)-1H-pyrazol-3-yl}-N-methylmethanamine
CID 56601150
N,N-dimethyl-3-(1-phenylindazol-3-yl)oxypropan-1-amine
CID 200264
1-(2,6-Difluorophenyl)-3-piperidin-4-yloxyindazole
CID 11674313
3,4-dihydro-2H-[1,3]oxazino[3,2-b]indazole
CID 13664293
3-(Cyclohexylmethoxy)-1-(cyclohexylmethyl)indazole
CID 76321622
US10183913, Example 33
CID 56600546
3-hex-1-ynyl-5H-indazolo[2,3-a][3,1]benzoxazine
CID 16745780
3-(1-octynyl)-5H-indazolo[3,2-b]benzo[d][1,3]oxazine
CID 16746132
3-pent-1-ynyl-5H-indazolo[2,3-a][3,1]benzoxazine
CID 23640972
3-Fluoro-2-(3-piperidin-4-yloxyindazol-1-yl)phenol
CID 54757560

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2-fluorophenyl)-3-[(4-methylpiperidin-4-yl)methoxy]indazole;hydron;chloride?
The IUPAC name of 5-fluoro-1-(2-fluorophenyl)-3-[(4-methylpiperidin-4-yl)methoxy]indazole;hydron;chloride (CID 68570920) is 5-fluoro-1-(2-fluorophenyl)-3-[(4-methylpiperidin-4-yl)methoxy]indazole;hydron;chloride.
What is the SMILES notation for 5-fluoro-1-(2-fluorophenyl)-3-[(4-methylpiperidin-4-yl)methoxy]indazole;hydron;chloride?
The canonical SMILES for 5-fluoro-1-(2-fluorophenyl)-3-[(4-methylpiperidin-4-yl)methoxy]indazole;hydron;chloride is CC1(COc2nn(-c3ccccc3F)c3ccc(F)cc23)CCNCC1.[Cl-].[H+].
What is the InChIKey of 5-fluoro-1-(2-fluorophenyl)-3-[(4-methylpiperidin-4-yl)methoxy]indazole;hydron;chloride?
The InChIKey is LFEBVPNJMCMCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O.ClH/c1-20(8-10-23-11-9-20)13-26-19-15-12-14(21)6-7-17(15)25(24-19)18-5-3-2-4-16(18)22;/h2-7,12,23H,8-11,13H2,1H3;1H.
What are the key properties of 5-fluoro-1-(2-fluorophenyl)-3-[(4-methylpiperidin-4-yl)methoxy]indazole;hydron;chloride?
5-fluoro-1-(2-fluorophenyl)-3-[(4-methylpiperidin-4-yl)methoxy]indazole;hydron;chloride has a molecular weight of 393.87 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-fluorophenyl)-3-[(4-methylpiperidin-4-yl)methoxy]indazole;hydron;chloride is sourced from PubChem (CID 68570920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).