7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-5-(trifluoromethyl)-1H-indazole

C22H23F4N3O — CID 25159786

IUPAC7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-5-(trifluoromethyl)-1H-indazole
SMILESCN1CCC(COCc2cc(C(F)(F)F)cc3cn[nH]c23)(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H23F4N3O/c1-29-8-6-21(7-9-29,17-2-4-19(23)5-3-17)14-30-13-16-11-18(22(24,25)26)10-15-12-27-28-20(15)16/h2-5,10-12H,6-9,13-14H2,1H3,(H,27,28)
InChIKeyYAUMUXPECINPHA-UHFFFAOYSA-N
MW421.44 g/mol
LogP4.90
Rot. Bonds5

About 7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-5-(trifluoromethyl)-1H-indazole

7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-5-(trifluoromethyl)-1H-indazole (PubChem CID 25159786) has the molecular formula C22H23F4N3O and a molecular weight of 421.44 g/mol. Its IUPAC name is 7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-5-(trifluoromethyl)-1H-indazole.

Molecular Properties

Compound Name7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-5-(trifluoromethyl)-1H-indazole
PubChem CID25159786
Molecular FormulaC22H23F4N3O
Molecular Weight421.44 g/mol
Exact Mass421.18
IUPAC Name7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-5-(trifluoromethyl)-1H-indazole
SMILESCN1CCC(COCc2cc(C(F)(F)F)cc3cn[nH]c23)(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H23F4N3O/c1-29-8-6-21(7-9-29,17-2-4-19(23)5-3-17)14-30-13-16-11-18(22(24,25)26)10-15-12-27-28-20(15)16/h2-5,10-12H,6-9,13-14H2,1H3,(H,27,28)
InChIKeyYAUMUXPECINPHA-UHFFFAOYSA-N
XLogP4.90
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.44
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-5-(trifluoromethyl)-1H-indazole?
The IUPAC name of 7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-5-(trifluoromethyl)-1H-indazole (CID 25159786) is 7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-5-(trifluoromethyl)-1H-indazole.
What is the SMILES notation for 7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-5-(trifluoromethyl)-1H-indazole?
The canonical SMILES for 7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-5-(trifluoromethyl)-1H-indazole is CN1CCC(COCc2cc(C(F)(F)F)cc3cn[nH]c23)(c2ccc(F)cc2)CC1.
What is the InChIKey of 7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-5-(trifluoromethyl)-1H-indazole?
The InChIKey is YAUMUXPECINPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F4N3O/c1-29-8-6-21(7-9-29,17-2-4-19(23)5-3-17)14-30-13-16-11-18(22(24,25)26)10-15-12-27-28-20(15)16/h2-5,10-12H,6-9,13-14H2,1H3,(H,27,28).
What are the key properties of 7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-5-(trifluoromethyl)-1H-indazole?
7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-5-(trifluoromethyl)-1H-indazole has a molecular weight of 421.44 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-5-(trifluoromethyl)-1H-indazole is sourced from PubChem (CID 25159786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).