1-(2,4-difluorophenyl)-4-fluoro-3-(piperidin-3-ylmethoxy)indazole;hydrochloride

C19H19ClF3N3O — CID 68531598

IUPAC1-(2,4-difluorophenyl)-4-fluoro-3-(piperidin-3-ylmethoxy)indazole;hydrochloride
SMILESCl.Fc1ccc(-n2nc(OCC3CCCNC3)c3c(F)cccc32)c(F)c1
InChIInChI=1S/C19H18F3N3O.ClH/c20-13-6-7-16(15(22)9-13)25-17-5-1-4-14(21)18(17)19(24-25)26-11-12-3-2-8-23-10-12;/h1,4-7,9,12,23H,2-3,8,10-11H2;1H
InChIKeyYELLRFTYXWKWTN-UHFFFAOYSA-N
MW397.83 g/mol
LogP4.24
Rot. Bonds4

About 1-(2,4-difluorophenyl)-4-fluoro-3-(piperidin-3-ylmethoxy)indazole;hydrochloride

1-(2,4-difluorophenyl)-4-fluoro-3-(piperidin-3-ylmethoxy)indazole;hydrochloride (PubChem CID 68531598) has the molecular formula C19H19ClF3N3O and a molecular weight of 397.83 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-4-fluoro-3-(piperidin-3-ylmethoxy)indazole;hydrochloride.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-4-fluoro-3-(piperidin-3-ylmethoxy)indazole;hydrochloride
PubChem CID68531598
Molecular FormulaC19H19ClF3N3O
Molecular Weight397.83 g/mol
Exact Mass397.12
IUPAC Name1-(2,4-difluorophenyl)-4-fluoro-3-(piperidin-3-ylmethoxy)indazole;hydrochloride
SMILESCl.Fc1ccc(-n2nc(OCC3CCCNC3)c3c(F)cccc32)c(F)c1
InChIInChI=1S/C19H18F3N3O.ClH/c20-13-6-7-16(15(22)9-13)25-17-5-1-4-14(21)18(17)19(24-25)26-11-12-3-2-8-23-10-12;/h1,4-7,9,12,23H,2-3,8,10-11H2;1H
InChIKeyYELLRFTYXWKWTN-UHFFFAOYSA-N
XLogP4.24
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.83
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-difluorophenyl)-4-fluoro-3-(piperidin-3-ylmethoxy)indazole
CID 68534726
1-(2,4-difluorophenyl)-3-[[(3S)-pyrrolidin-3-yl]methoxy]indazole
CID 11667059
1-(2,4-difluorophenyl)-3-(pyrrolidin-3-ylmethoxy)indazole
CID 25120227
5-fluoro-1-(4-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methoxy]indazole;hydrochloride
CID 68533546
1-(2,6-difluorophenyl)-3-[[(3S)-piperidin-3-yl]methoxy]indazole
CID 11631528
but-2-enedioic acid;5-fluoro-1-(2-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methoxy]indazole
CID 68531476
1-(3,4-difluorophenyl)-3-(piperidin-3-ylmethoxy)indazole
CID 68531522
1-(2,5-difluorophenyl)-5-fluoro-3-(pyrrolidin-3-ylmethoxy)indazole
CID 57479407
3-[(2,6-difluorophenoxy)methyl]piperidine
CID 81268520
(3R)-3-[(3-fluorophenoxy)methyl]piperidine
CID 26188571
(3S)-3-[(3-fluorophenoxy)methyl]piperidine
CID 26188575
1-(4-chlorophenyl)-3-(piperidin-3-ylmethoxy)indazole
CID 68531582

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-4-fluoro-3-(piperidin-3-ylmethoxy)indazole;hydrochloride?
The IUPAC name of 1-(2,4-difluorophenyl)-4-fluoro-3-(piperidin-3-ylmethoxy)indazole;hydrochloride (CID 68531598) is 1-(2,4-difluorophenyl)-4-fluoro-3-(piperidin-3-ylmethoxy)indazole;hydrochloride.
What is the SMILES notation for 1-(2,4-difluorophenyl)-4-fluoro-3-(piperidin-3-ylmethoxy)indazole;hydrochloride?
The canonical SMILES for 1-(2,4-difluorophenyl)-4-fluoro-3-(piperidin-3-ylmethoxy)indazole;hydrochloride is Cl.Fc1ccc(-n2nc(OCC3CCCNC3)c3c(F)cccc32)c(F)c1.
What is the InChIKey of 1-(2,4-difluorophenyl)-4-fluoro-3-(piperidin-3-ylmethoxy)indazole;hydrochloride?
The InChIKey is YELLRFTYXWKWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O.ClH/c20-13-6-7-16(15(22)9-13)25-17-5-1-4-14(21)18(17)19(24-25)26-11-12-3-2-8-23-10-12;/h1,4-7,9,12,23H,2-3,8,10-11H2;1H.
What are the key properties of 1-(2,4-difluorophenyl)-4-fluoro-3-(piperidin-3-ylmethoxy)indazole;hydrochloride?
1-(2,4-difluorophenyl)-4-fluoro-3-(piperidin-3-ylmethoxy)indazole;hydrochloride has a molecular weight of 397.83 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-4-fluoro-3-(piperidin-3-ylmethoxy)indazole;hydrochloride is sourced from PubChem (CID 68531598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).