5-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine

C22H25F3N4O — CID 25073254

IUPAC5-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
SMILESFC(F)(F)c1cccc(N2CCN(CCCCOc3ccn4nccc4c3)CC2)c1
InChIInChI=1S/C22H25F3N4O/c23-22(24,25)18-4-3-5-19(16-18)28-13-11-27(12-14-28)9-1-2-15-30-21-7-10-29-20(17-21)6-8-26-29/h3-8,10,16-17H,1-2,9,11-15H2
InChIKeyUDFBYOWSQWBBCP-UHFFFAOYSA-N
MW418.46 g/mol
LogP4.33
Rot. Bonds7

About 5-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine

5-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine (PubChem CID 25073254) has the molecular formula C22H25F3N4O and a molecular weight of 418.46 g/mol. Its IUPAC name is 5-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
PubChem CID25073254
Molecular FormulaC22H25F3N4O
Molecular Weight418.46 g/mol
Exact Mass418.20
IUPAC Name5-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
SMILESFC(F)(F)c1cccc(N2CCN(CCCCOc3ccn4nccc4c3)CC2)c1
InChIInChI=1S/C22H25F3N4O/c23-22(24,25)18-4-3-5-19(16-18)28-13-11-27(12-14-28)9-1-2-15-30-21-7-10-29-20(17-21)6-8-26-29/h3-8,10,16-17H,1-2,9,11-15H2
InChIKeyUDFBYOWSQWBBCP-UHFFFAOYSA-N
XLogP4.33
TPSA33.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
CID 25071067
1-[4-(2,3-dihydro-1H-inden-5-yloxy)butyl]-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 45260939
1-hexyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3317565
1-[3-(trifluoromethyl)phenyl]-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxymethyl]piperazine
CID 3051828
1-(6-naphthalen-1-yloxyhexyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3841599
4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-ol;hydrochloride
CID 71757707
7-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butoxy]spiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 86275196
2-methyl-7-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propoxy]-3,4-dihydroisoquinolin-1-one
CID 162663239
1-(2-bromoethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 61287958
oxalic acid;3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine
CID 163332625
4-(furan-2-yl)-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-2-amine
CID 11612009
1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 76852194

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine?
The IUPAC name of 5-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine (CID 25073254) is 5-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 5-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 5-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine is FC(F)(F)c1cccc(N2CCN(CCCCOc3ccn4nccc4c3)CC2)c1.
What is the InChIKey of 5-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine?
The InChIKey is UDFBYOWSQWBBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4O/c23-22(24,25)18-4-3-5-19(16-18)28-13-11-27(12-14-28)9-1-2-15-30-21-7-10-29-20(17-21)6-8-26-29/h3-8,10,16-17H,1-2,9,11-15H2.
What are the key properties of 5-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine?
5-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine has a molecular weight of 418.46 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 25073254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).