1-(2,6-difluorophenyl)-4-fluoro-3-(piperidin-3-ylmethoxy)indazole

C19H18F3N3O — CID 68534726

IUPAC1-(2,6-difluorophenyl)-4-fluoro-3-(piperidin-3-ylmethoxy)indazole
SMILESFc1cccc(F)c1-n1nc(OCC2CCCNC2)c2c(F)cccc21
InChIInChI=1S/C19H18F3N3O/c20-13-5-2-8-16-17(13)19(26-11-12-4-3-9-23-10-12)24-25(16)18-14(21)6-1-7-15(18)22/h1-2,5-8,12,23H,3-4,9-11H2
InChIKeyLJQXVLCYMTWVJF-UHFFFAOYSA-N
MW361.37 g/mol
LogP3.82
Rot. Bonds4

About 1-(2,6-difluorophenyl)-4-fluoro-3-(piperidin-3-ylmethoxy)indazole

1-(2,6-difluorophenyl)-4-fluoro-3-(piperidin-3-ylmethoxy)indazole (PubChem CID 68534726) has the molecular formula C19H18F3N3O and a molecular weight of 361.37 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-4-fluoro-3-(piperidin-3-ylmethoxy)indazole.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-4-fluoro-3-(piperidin-3-ylmethoxy)indazole
PubChem CID68534726
Molecular FormulaC19H18F3N3O
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name1-(2,6-difluorophenyl)-4-fluoro-3-(piperidin-3-ylmethoxy)indazole
SMILESFc1cccc(F)c1-n1nc(OCC2CCCNC2)c2c(F)cccc21
InChIInChI=1S/C19H18F3N3O/c20-13-5-2-8-16-17(13)19(26-11-12-4-3-9-23-10-12)24-25(16)18-14(21)6-1-7-15(18)22/h1-2,5-8,12,23H,3-4,9-11H2
InChIKeyLJQXVLCYMTWVJF-UHFFFAOYSA-N
XLogP3.82
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-difluorophenyl)-3-[[(3S)-piperidin-3-yl]methoxy]indazole
CID 11631528
1-(2,4-difluorophenyl)-4-fluoro-3-(piperidin-3-ylmethoxy)indazole;hydrochloride
CID 68531598
3-[(2,6-difluorophenoxy)methyl]piperidine
CID 81268520
1-(3,4-difluorophenyl)-3-(piperidin-3-ylmethoxy)indazole
CID 68531522
1-(4-chlorophenyl)-3-(piperidin-3-ylmethoxy)indazole
CID 68531582
5-fluoro-1-(4-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methoxy]indazole;hydrochloride
CID 68533546
difluoromethane;3-[(2-fluorophenoxy)methyl]piperidine
CID 166104221
but-2-enedioic acid;5-fluoro-1-(2-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methoxy]indazole
CID 68531476
1-(2,4-difluorophenyl)-3-[[(3S)-pyrrolidin-3-yl]methoxy]indazole
CID 11667059
1-(2,4-difluorophenyl)-3-(pyrrolidin-3-ylmethoxy)indazole
CID 25120227
(3S)-3-[(3-fluorophenoxy)methyl]piperidine
CID 26188575
(3R)-3-[(3-fluorophenoxy)methyl]piperidine
CID 26188571

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-4-fluoro-3-(piperidin-3-ylmethoxy)indazole?
The IUPAC name of 1-(2,6-difluorophenyl)-4-fluoro-3-(piperidin-3-ylmethoxy)indazole (CID 68534726) is 1-(2,6-difluorophenyl)-4-fluoro-3-(piperidin-3-ylmethoxy)indazole.
What is the SMILES notation for 1-(2,6-difluorophenyl)-4-fluoro-3-(piperidin-3-ylmethoxy)indazole?
The canonical SMILES for 1-(2,6-difluorophenyl)-4-fluoro-3-(piperidin-3-ylmethoxy)indazole is Fc1cccc(F)c1-n1nc(OCC2CCCNC2)c2c(F)cccc21.
What is the InChIKey of 1-(2,6-difluorophenyl)-4-fluoro-3-(piperidin-3-ylmethoxy)indazole?
The InChIKey is LJQXVLCYMTWVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O/c20-13-5-2-8-16-17(13)19(26-11-12-4-3-9-23-10-12)24-25(16)18-14(21)6-1-7-15(18)22/h1-2,5-8,12,23H,3-4,9-11H2.
What are the key properties of 1-(2,6-difluorophenyl)-4-fluoro-3-(piperidin-3-ylmethoxy)indazole?
1-(2,6-difluorophenyl)-4-fluoro-3-(piperidin-3-ylmethoxy)indazole has a molecular weight of 361.37 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-4-fluoro-3-(piperidin-3-ylmethoxy)indazole is sourced from PubChem (CID 68534726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).