[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone

C16H14F3N5OS — CID 53203403

IUPAC[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone
SMILESO=C(c1ccc(C(F)(F)F)s1)N1CCN(c2nnc3ccccn23)CC1
InChIInChI=1S/C16H14F3N5OS/c17-16(18,19)12-5-4-11(26-12)14(25)22-7-9-23(10-8-22)15-21-20-13-3-1-2-6-24(13)15/h1-6H,7-10H2
InChIKeyRQPDREDUEPKBSF-UHFFFAOYSA-N
MW381.38 g/mol
LogP2.77
Rot. Bonds2

About [4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone

[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone (PubChem CID 53203403) has the molecular formula C16H14F3N5OS and a molecular weight of 381.38 g/mol. Its IUPAC name is [4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone
PubChem CID53203403
Molecular FormulaC16H14F3N5OS
Molecular Weight381.38 g/mol
Exact Mass381.09
IUPAC Name[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone
SMILESO=C(c1ccc(C(F)(F)F)s1)N1CCN(c2nnc3ccccn23)CC1
InChIInChI=1S/C16H14F3N5OS/c17-16(18,19)12-5-4-11(26-12)14(25)22-7-9-23(10-8-22)15-21-20-13-3-1-2-6-24(13)15/h1-6H,7-10H2
InChIKeyRQPDREDUEPKBSF-UHFFFAOYSA-N
XLogP2.77
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone
CID 53203496
pyridin-3-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]methanone
CID 53203405
(1-ethylpyrazol-3-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]methanone
CID 53203469
3-cyclopentyl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]propan-1-one
CID 53203453
(1,5-dimethylpyrazol-3-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]methanone
CID 139598620
1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 53203400
3-phenyl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]propan-1-one
CID 83278566
(3-fluoro-4-methoxyphenyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]methanone
CID 87054141
[(2S)-1-methylpyrrolidin-2-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]methanone
CID 138808781
2-pyrazol-1-yl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]butan-1-one
CID 138807835
1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 53203046
1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 53203178

Frequently Asked Questions

What is the IUPAC name of [4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone?
The IUPAC name of [4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone (CID 53203403) is [4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone.
What is the SMILES notation for [4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone?
The canonical SMILES for [4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone is O=C(c1ccc(C(F)(F)F)s1)N1CCN(c2nnc3ccccn23)CC1.
What is the InChIKey of [4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone?
The InChIKey is RQPDREDUEPKBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5OS/c17-16(18,19)12-5-4-11(26-12)14(25)22-7-9-23(10-8-22)15-21-20-13-3-1-2-6-24(13)15/h1-6H,7-10H2.
What are the key properties of [4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone?
[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone has a molecular weight of 381.38 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone is sourced from PubChem (CID 53203403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).