2-[[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]oxy]ethanol

C22H25F3N6O2 — CID 68972973

IUPAC2-[[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]oxy]ethanol
SMILESCC1CN(Cc2cn[nH]c2-c2ccc(OCCO)nc2)CCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C22H25F3N6O2/c1-15-13-30(6-7-31(15)19-4-3-18(12-26-19)22(23,24)25)14-17-11-28-29-21(17)16-2-5-20(27-10-16)33-9-8-32/h2-5,10-12,15,32H,6-9,13-14H2,1H3,(H,28,29)
InChIKeyUJIZOJGQRJDCKJ-UHFFFAOYSA-N
MW462.48 g/mol
LogP2.97
Rot. Bonds7

About 2-[[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]oxy]ethanol

2-[[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]oxy]ethanol (PubChem CID 68972973) has the molecular formula C22H25F3N6O2 and a molecular weight of 462.48 g/mol. Its IUPAC name is 2-[[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]oxy]ethanol.

Molecular Properties

Compound Name2-[[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]oxy]ethanol
PubChem CID68972973
Molecular FormulaC22H25F3N6O2
Molecular Weight462.48 g/mol
Exact Mass462.20
IUPAC Name2-[[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]oxy]ethanol
SMILESCC1CN(Cc2cn[nH]c2-c2ccc(OCCO)nc2)CCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C22H25F3N6O2/c1-15-13-30(6-7-31(15)19-4-3-18(12-26-19)22(23,24)25)14-17-11-28-29-21(17)16-2-5-20(27-10-16)33-9-8-32/h2-5,10-12,15,32H,6-9,13-14H2,1H3,(H,28,29)
InChIKeyUJIZOJGQRJDCKJ-UHFFFAOYSA-N
XLogP2.97
TPSA90.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.48
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]oxy]ethanol?
The IUPAC name of 2-[[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]oxy]ethanol (CID 68972973) is 2-[[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]oxy]ethanol.
What is the SMILES notation for 2-[[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]oxy]ethanol?
The canonical SMILES for 2-[[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]oxy]ethanol is CC1CN(Cc2cn[nH]c2-c2ccc(OCCO)nc2)CCN1c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-[[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]oxy]ethanol?
The InChIKey is UJIZOJGQRJDCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N6O2/c1-15-13-30(6-7-31(15)19-4-3-18(12-26-19)22(23,24)25)14-17-11-28-29-21(17)16-2-5-20(27-10-16)33-9-8-32/h2-5,10-12,15,32H,6-9,13-14H2,1H3,(H,28,29).
What are the key properties of 2-[[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]oxy]ethanol?
2-[[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]oxy]ethanol has a molecular weight of 462.48 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]oxy]ethanol is sourced from PubChem (CID 68972973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).