1-(2,6-difluorophenyl)-3-[[(3S)-piperidin-3-yl]methoxy]indazole

C19H19F2N3O — CID 11631528

IUPAC1-(2,6-difluorophenyl)-3-[[(3S)-piperidin-3-yl]methoxy]indazole
SMILESFc1cccc(F)c1-n1nc(OC[C@H]2CCCNC2)c2ccccc21
InChIInChI=1S/C19H19F2N3O/c20-15-7-3-8-16(21)18(15)24-17-9-2-1-6-14(17)19(23-24)25-12-13-5-4-10-22-11-13/h1-3,6-9,13,22H,4-5,10-12H2/t13-/m0/s1
InChIKeyODSOVFPQIASKTR-ZDUSSCGKSA-N
MW343.38 g/mol
LogP3.68
Rot. Bonds4

About 1-(2,6-difluorophenyl)-3-[[(3S)-piperidin-3-yl]methoxy]indazole

1-(2,6-difluorophenyl)-3-[[(3S)-piperidin-3-yl]methoxy]indazole (PubChem CID 11631528) has the molecular formula C19H19F2N3O and a molecular weight of 343.38 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-[[(3S)-piperidin-3-yl]methoxy]indazole.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-[[(3S)-piperidin-3-yl]methoxy]indazole
PubChem CID11631528
Molecular FormulaC19H19F2N3O
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name1-(2,6-difluorophenyl)-3-[[(3S)-piperidin-3-yl]methoxy]indazole
SMILESFc1cccc(F)c1-n1nc(OC[C@H]2CCCNC2)c2ccccc21
InChIInChI=1S/C19H19F2N3O/c20-15-7-3-8-16(21)18(15)24-17-9-2-1-6-14(17)19(23-24)25-12-13-5-4-10-22-11-13/h1-3,6-9,13,22H,4-5,10-12H2/t13-/m0/s1
InChIKeyODSOVFPQIASKTR-ZDUSSCGKSA-N
XLogP3.68
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.68
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-(3,4-difluorophenyl)-3-(piperidin-3-ylmethoxy)indazole
CID 68531522
1-(4-chlorophenyl)-3-(piperidin-3-ylmethoxy)indazole
CID 68531582
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-(2,4-difluorophenyl)-4-fluoro-3-(piperidin-3-ylmethoxy)indazole;hydrochloride
CID 68531598
3-[(2,6-difluorophenoxy)methyl]piperidine
CID 81268520
5-fluoro-1-(4-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methoxy]indazole;hydrochloride
CID 68533546
but-2-enedioic acid;5-fluoro-1-(2-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methoxy]indazole
CID 68531476
difluoromethane;3-[(2-fluorophenoxy)methyl]piperidine
CID 166104221
1-(2,5-difluorophenyl)-5-fluoro-3-(pyrrolidin-3-ylmethoxy)indazole
CID 57479407
2-[[1-(3,4-difluorophenyl)indazol-3-yl]oxymethyl]morpholine
CID 25120226

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-[[(3S)-piperidin-3-yl]methoxy]indazole?
The IUPAC name of 1-(2,6-difluorophenyl)-3-[[(3S)-piperidin-3-yl]methoxy]indazole (CID 11631528) is 1-(2,6-difluorophenyl)-3-[[(3S)-piperidin-3-yl]methoxy]indazole.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-[[(3S)-piperidin-3-yl]methoxy]indazole?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-[[(3S)-piperidin-3-yl]methoxy]indazole is Fc1cccc(F)c1-n1nc(OC[C@H]2CCCNC2)c2ccccc21.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-[[(3S)-piperidin-3-yl]methoxy]indazole?
The InChIKey is ODSOVFPQIASKTR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19F2N3O/c20-15-7-3-8-16(21)18(15)24-17-9-2-1-6-14(17)19(23-24)25-12-13-5-4-10-22-11-13/h1-3,6-9,13,22H,4-5,10-12H2/t13-/m0/s1.
What are the key properties of 1-(2,6-difluorophenyl)-3-[[(3S)-piperidin-3-yl]methoxy]indazole?
1-(2,6-difluorophenyl)-3-[[(3S)-piperidin-3-yl]methoxy]indazole has a molecular weight of 343.38 g/mol, XLogP of 3.68, 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)-3-[[(3S)-piperidin-3-yl]methoxy]indazole is sourced from PubChem (CID 11631528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).