5-fluoro-1-(4-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methoxy]indazole;hydrochloride

C19H20ClF2N3O — CID 68533546

IUPAC5-fluoro-1-(4-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methoxy]indazole;hydrochloride
SMILESCl.Fc1ccc(-n2nc(OC[C@H]3CCCNC3)c3cc(F)ccc32)cc1
InChIInChI=1S/C19H19F2N3O.ClH/c20-14-3-6-16(7-4-14)24-18-8-5-15(21)10-17(18)19(23-24)25-12-13-2-1-9-22-11-13;/h3-8,10,13,22H,1-2,9,11-12H2;1H/t13-;/m0./s1
InChIKeyRCOFHMDIRJWEMK-ZOWNYOTGSA-N
MW379.84 g/mol
LogP4.10
Rot. Bonds4

About 5-fluoro-1-(4-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methoxy]indazole;hydrochloride

5-fluoro-1-(4-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methoxy]indazole;hydrochloride (PubChem CID 68533546) has the molecular formula C19H20ClF2N3O and a molecular weight of 379.84 g/mol. Its IUPAC name is 5-fluoro-1-(4-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methoxy]indazole;hydrochloride.

Molecular Properties

Compound Name5-fluoro-1-(4-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methoxy]indazole;hydrochloride
PubChem CID68533546
Molecular FormulaC19H20ClF2N3O
Molecular Weight379.84 g/mol
Exact Mass379.13
IUPAC Name5-fluoro-1-(4-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methoxy]indazole;hydrochloride
SMILESCl.Fc1ccc(-n2nc(OC[C@H]3CCCNC3)c3cc(F)ccc32)cc1
InChIInChI=1S/C19H19F2N3O.ClH/c20-14-3-6-16(7-4-14)24-18-8-5-15(21)10-17(18)19(23-24)25-12-13-2-1-9-22-11-13;/h3-8,10,13,22H,1-2,9,11-12H2;1H/t13-;/m0./s1
InChIKeyRCOFHMDIRJWEMK-ZOWNYOTGSA-N
XLogP4.10
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-difluorophenyl)-5-fluoro-3-(pyrrolidin-3-ylmethoxy)indazole
CID 57479407
1-(3,4-difluorophenyl)-3-(piperidin-3-ylmethoxy)indazole
CID 68531522
but-2-enedioic acid;5-fluoro-1-(2-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methoxy]indazole
CID 68531476
1-(4-chlorophenyl)-3-(piperidin-3-ylmethoxy)indazole
CID 68531582
1-(2,4-difluorophenyl)-4-fluoro-3-(piperidin-3-ylmethoxy)indazole;hydrochloride
CID 68531598
1-(2,6-difluorophenyl)-3-[[(3S)-piperidin-3-yl]methoxy]indazole
CID 11631528
1-(2,4-difluorophenyl)-3-[[(3S)-pyrrolidin-3-yl]methoxy]indazole
CID 11667059
1-(2,4-difluorophenyl)-3-(pyrrolidin-3-ylmethoxy)indazole
CID 25120227
1-(2,6-difluorophenyl)-4-fluoro-3-(piperidin-3-ylmethoxy)indazole
CID 68534726
(3S)-3-[(4-fluorophenoxy)methyl]piperidine
CID 42427122
(3R)-3-[(4-fluoro-2-methylphenoxy)methyl]piperidine
CID 92670023
(3R)-3-[(3-fluorophenoxy)methyl]piperidine
CID 26188571

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(4-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methoxy]indazole;hydrochloride?
The IUPAC name of 5-fluoro-1-(4-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methoxy]indazole;hydrochloride (CID 68533546) is 5-fluoro-1-(4-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methoxy]indazole;hydrochloride.
What is the SMILES notation for 5-fluoro-1-(4-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methoxy]indazole;hydrochloride?
The canonical SMILES for 5-fluoro-1-(4-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methoxy]indazole;hydrochloride is Cl.Fc1ccc(-n2nc(OC[C@H]3CCCNC3)c3cc(F)ccc32)cc1.
What is the InChIKey of 5-fluoro-1-(4-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methoxy]indazole;hydrochloride?
The InChIKey is RCOFHMDIRJWEMK-ZOWNYOTGSA-N. The full InChI is InChI=1S/C19H19F2N3O.ClH/c20-14-3-6-16(7-4-14)24-18-8-5-15(21)10-17(18)19(23-24)25-12-13-2-1-9-22-11-13;/h3-8,10,13,22H,1-2,9,11-12H2;1H/t13-;/m0./s1.
What are the key properties of 5-fluoro-1-(4-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methoxy]indazole;hydrochloride?
5-fluoro-1-(4-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methoxy]indazole;hydrochloride has a molecular weight of 379.84 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(4-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methoxy]indazole;hydrochloride is sourced from PubChem (CID 68533546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).