1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone

C19H18F3N5O2 — CID 53203400

IUPAC1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone
SMILESO=C(Cc1ccc(OC(F)(F)F)cc1)N1CCN(c2nnc3ccccn23)CC1
InChIInChI=1S/C19H18F3N5O2/c20-19(21,22)29-15-6-4-14(5-7-15)13-17(28)25-9-11-26(12-10-25)18-24-23-16-3-1-2-8-27(16)18/h1-8H,9-13H2
InChIKeyJNOJQLMJRVTMAN-UHFFFAOYSA-N
MW405.38 g/mol
LogP2.52
Rot. Bonds4

About 1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone

1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone (PubChem CID 53203400) has the molecular formula C19H18F3N5O2 and a molecular weight of 405.38 g/mol. Its IUPAC name is 1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone
PubChem CID53203400
Molecular FormulaC19H18F3N5O2
Molecular Weight405.38 g/mol
Exact Mass405.14
IUPAC Name1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone
SMILESO=C(Cc1ccc(OC(F)(F)F)cc1)N1CCN(c2nnc3ccccn23)CC1
InChIInChI=1S/C19H18F3N5O2/c20-19(21,22)29-15-6-4-14(5-7-15)13-17(28)25-9-11-26(12-10-25)18-24-23-16-3-1-2-8-27(16)18/h1-8H,9-13H2
InChIKeyJNOJQLMJRVTMAN-UHFFFAOYSA-N
XLogP2.52
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 53203526
3-(4-methoxyphenyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]propan-1-one
CID 53203397
3-phenyl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]propan-1-one
CID 83278566
1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 139547947
2-(2-chloro-4-methoxyphenyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]ethanone
CID 53203462
3-cyclopentyl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]propan-1-one
CID 53203453
1-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 78880225
[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone
CID 53203403
1-[4-(3-methylbutyl)piperazin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 55746191
1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 55739423
pyridin-3-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]methanone
CID 53203405
2-(2-methoxyphenyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanone
CID 60506594

Frequently Asked Questions

What is the IUPAC name of 1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone?
The IUPAC name of 1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone (CID 53203400) is 1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone?
The canonical SMILES for 1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone is O=C(Cc1ccc(OC(F)(F)F)cc1)N1CCN(c2nnc3ccccn23)CC1.
What is the InChIKey of 1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone?
The InChIKey is JNOJQLMJRVTMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O2/c20-19(21,22)29-15-6-4-14(5-7-15)13-17(28)25-9-11-26(12-10-25)18-24-23-16-3-1-2-8-27(16)18/h1-8H,9-13H2.
What are the key properties of 1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone?
1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone has a molecular weight of 405.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone is sourced from PubChem (CID 53203400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).