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

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Related Compounds

5-fluoro-1-(2-fluorophenyl)-3-(2-imidazol-1-ylethoxy)indazole
CID 127046799
1-(2,5-difluorophenyl)-5-fluoro-3-(pyrrolidin-3-ylmethoxy)indazole
CID 57479407
1-[2-[1-(2,4-difluorophenyl)-5-fluoroindazol-3-yl]oxyethyl]imidazolidin-2-one
CID 127046802
1-(2,4-difluorophenyl)-3-[[(3S)-pyrrolidin-3-yl]methoxy]indazole
CID 11667059
1-(2,4-difluorophenyl)-3-(pyrrolidin-3-ylmethoxy)indazole
CID 25120227
bis(1-(2-fluorophenyl)-3-piperidin-4-yloxyindazole);hydrochloride
CID 172813926
4-[(2-chloro-4-fluorophenoxy)methyl]-4-methylpiperidine;hydrochloride
CID 156693611
3-(2,4-difluorophenyl)-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine
CID 146333330
1-(2,4-difluorophenyl)-4-fluoro-3-(piperidin-3-ylmethoxy)indazole;hydrochloride
CID 68531598
1-(4-fluorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]-1-pyridin-2-ylmethanamine
CID 121413050
2-[(3-methylpyrrolidin-3-yl)methoxy]pyridine
CID 127006284
1-(4-fluorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]-1-pyridin-2-ylmethanamine;hydrochloride
CID 121413049

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).