8-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-8-ium

C23H28F3N4O+ — CID 91276324

IUPAC8-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-8-ium
SMILESCOc1ccccc1N1CCN(CCCC[N+]23C=CC(C(F)(F)F)=CC2=CC=N3)CC1
InChIInChI=1S/C23H28F3N4O/c1-31-22-7-3-2-6-21(22)29-14-12-28(13-15-29)11-4-5-16-30-17-9-19(23(24,25)26)18-20(30)8-10-27-30/h2-3,6-10,17-18H,4-5,11-16H2,1H3/q+1
InChIKeySPVAIUVFWNMTQP-UHFFFAOYSA-N
MW433.50 g/mol
LogP4.31
Rot. Bonds7

About 8-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-8-ium

8-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-8-ium (PubChem CID 91276324) has the molecular formula C23H28F3N4O+ and a molecular weight of 433.50 g/mol. Its IUPAC name is 8-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-8-ium.

Molecular Properties

Compound Name8-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-8-ium
PubChem CID91276324
Molecular FormulaC23H28F3N4O+
Molecular Weight433.50 g/mol
Exact Mass433.22
IUPAC Name8-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-8-ium
SMILESCOc1ccccc1N1CCN(CCCC[N+]23C=CC(C(F)(F)F)=CC2=CC=N3)CC1
InChIInChI=1S/C23H28F3N4O/c1-31-22-7-3-2-6-21(22)29-14-12-28(13-15-29)11-4-5-16-30-17-9-19(23(24,25)26)18-20(30)8-10-27-30/h2-3,6-10,17-18H,4-5,11-16H2,1H3/q+1
InChIKeySPVAIUVFWNMTQP-UHFFFAOYSA-N
XLogP4.31
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.50
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]indolizin-4-ium-2-yl]urea
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CID 25140451
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CID 141363458
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CID 586071
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CID 22458185
1-(2-methoxyphenyl)-4-[4-(2-methylimidazol-1-yl)butyl]piperazine
CID 172860872
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]isoindole-1,3-dione
CID 139959232
1-(2-bromophenyl)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]urea
CID 23609325
1-(2-methoxyphenyl)-4-[2-(triazol-2-yl)ethyl]piperazine
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Frequently Asked Questions

What is the IUPAC name of 8-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-8-ium?
The IUPAC name of 8-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-8-ium (CID 91276324) is 8-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-8-ium.
What is the SMILES notation for 8-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-8-ium?
The canonical SMILES for 8-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-8-ium is COc1ccccc1N1CCN(CCCC[N+]23C=CC(C(F)(F)F)=CC2=CC=N3)CC1.
What is the InChIKey of 8-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-8-ium?
The InChIKey is SPVAIUVFWNMTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N4O/c1-31-22-7-3-2-6-21(22)29-14-12-28(13-15-29)11-4-5-16-30-17-9-19(23(24,25)26)18-20(30)8-10-27-30/h2-3,6-10,17-18H,4-5,11-16H2,1H3/q+1.
What are the key properties of 8-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-8-ium?
8-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-8-ium has a molecular weight of 433.50 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-8-ium is sourced from PubChem (CID 91276324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).