(5-methyl-1H-pyrazol-3-yl)-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methanone

C20H21F3N4O2 — CID 126952507

IUPAC(5-methyl-1H-pyrazol-3-yl)-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC(Oc3cccc4c3ccn4CC(F)(F)F)CC2)n[nH]1
InChIInChI=1S/C20H21F3N4O2/c1-13-11-16(25-24-13)19(28)26-8-5-14(6-9-26)29-18-4-2-3-17-15(18)7-10-27(17)12-20(21,22)23/h2-4,7,10-11,14H,5-6,8-9,12H2,1H3,(H,24,25)
InChIKeyFREXZCZAYMUUKY-UHFFFAOYSA-N
MW406.41 g/mol
LogP3.92
Rot. Bonds4

About (5-methyl-1H-pyrazol-3-yl)-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methanone

(5-methyl-1H-pyrazol-3-yl)-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methanone (PubChem CID 126952507) has the molecular formula C20H21F3N4O2 and a molecular weight of 406.41 g/mol. Its IUPAC name is (5-methyl-1H-pyrazol-3-yl)-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1H-pyrazol-3-yl)-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methanone
PubChem CID126952507
Molecular FormulaC20H21F3N4O2
Molecular Weight406.41 g/mol
Exact Mass406.16
IUPAC Name(5-methyl-1H-pyrazol-3-yl)-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC(Oc3cccc4c3ccn4CC(F)(F)F)CC2)n[nH]1
InChIInChI=1S/C20H21F3N4O2/c1-13-11-16(25-24-13)19(28)26-8-5-14(6-9-26)29-18-4-2-3-17-15(18)7-10-27(17)12-20(21,22)23/h2-4,7,10-11,14H,5-6,8-9,12H2,1H3,(H,24,25)
InChIKeyFREXZCZAYMUUKY-UHFFFAOYSA-N
XLogP3.92
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 56797957
6-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 126952728
2-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]cyclohexan-1-ol
CID 126952712
[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 126952327
[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-pyrazin-2-ylmethanone
CID 126952735
1-[3-hydroxy-3-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone
CID 126952708
[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 126952332
4-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]oxolan-3-ol
CID 126952711
2H-benzotriazol-5-yl-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methanone
CID 126951864
2-[4-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953341
3-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 75473604
4-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole
CID 126952652

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-pyrazol-3-yl)-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methanone?
The IUPAC name of (5-methyl-1H-pyrazol-3-yl)-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methanone (CID 126952507) is (5-methyl-1H-pyrazol-3-yl)-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1H-pyrazol-3-yl)-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methanone?
The canonical SMILES for (5-methyl-1H-pyrazol-3-yl)-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methanone is Cc1cc(C(=O)N2CCC(Oc3cccc4c3ccn4CC(F)(F)F)CC2)n[nH]1.
What is the InChIKey of (5-methyl-1H-pyrazol-3-yl)-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methanone?
The InChIKey is FREXZCZAYMUUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O2/c1-13-11-16(25-24-13)19(28)26-8-5-14(6-9-26)29-18-4-2-3-17-15(18)7-10-27(17)12-20(21,22)23/h2-4,7,10-11,14H,5-6,8-9,12H2,1H3,(H,24,25).
What are the key properties of (5-methyl-1H-pyrazol-3-yl)-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methanone?
(5-methyl-1H-pyrazol-3-yl)-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methanone has a molecular weight of 406.41 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-pyrazol-3-yl)-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methanone is sourced from PubChem (CID 126952507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).