[6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol

C23H23F4N3O2 — CID 137456365

IUPAC[6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol
SMILESOC(c1nn(C2COC2)c2cc(F)ccc12)N1CCC(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C23H23F4N3O2/c24-15-5-6-18-20(11-15)30(16-12-32-13-16)28-21(18)22(31)29-9-7-14(8-10-29)17-3-1-2-4-19(17)23(25,26)27/h1-6,11,14,16,22,31H,7-10,12-13H2
InChIKeyKGYRMGIYCUHELA-UHFFFAOYSA-N
MW449.45 g/mol
LogP4.64
Rot. Bonds4

About [6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol

[6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol (PubChem CID 137456365) has the molecular formula C23H23F4N3O2 and a molecular weight of 449.45 g/mol. Its IUPAC name is [6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol.

Molecular Properties

Compound Name[6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol
PubChem CID137456365
Molecular FormulaC23H23F4N3O2
Molecular Weight449.45 g/mol
Exact Mass449.17
IUPAC Name[6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol
SMILESOC(c1nn(C2COC2)c2cc(F)ccc12)N1CCC(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C23H23F4N3O2/c24-15-5-6-18-20(11-15)30(16-12-32-13-16)28-21(18)22(31)29-9-7-14(8-10-29)17-3-1-2-4-19(17)23(25,26)27/h1-6,11,14,16,22,31H,7-10,12-13H2
InChIKeyKGYRMGIYCUHELA-UHFFFAOYSA-N
XLogP4.64
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.45
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol?
The IUPAC name of [6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol (CID 137456365) is [6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol.
What is the SMILES notation for [6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol?
The canonical SMILES for [6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol is OC(c1nn(C2COC2)c2cc(F)ccc12)N1CCC(c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of [6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol?
The InChIKey is KGYRMGIYCUHELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F4N3O2/c24-15-5-6-18-20(11-15)30(16-12-32-13-16)28-21(18)22(31)29-9-7-14(8-10-29)17-3-1-2-4-19(17)23(25,26)27/h1-6,11,14,16,22,31H,7-10,12-13H2.
What are the key properties of [6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol?
[6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol has a molecular weight of 449.45 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol is sourced from PubChem (CID 137456365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).