2-(1-methylpiperidin-3-yl)-6-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid

C18H19F3N4O2S — CID 155847062

IUPAC2-(1-methylpiperidin-3-yl)-6-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
SMILESCN1CCCC(c2nc3ccc(-c4cccs4)cn3n2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H18N4S.C2HF3O2/c1-19-8-2-4-13(10-19)16-17-15-7-6-12(11-20(15)18-16)14-5-3-9-21-14;3-2(4,5)1(6)7/h3,5-7,9,11,13H,2,4,8,10H2,1H3;(H,6,7)
InChIKeyFCTHUJGJNDOYOE-UHFFFAOYSA-N
MW412.44 g/mol
LogP3.90
Rot. Bonds2

About 2-(1-methylpiperidin-3-yl)-6-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid

2-(1-methylpiperidin-3-yl)-6-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 155847062) has the molecular formula C18H19F3N4O2S and a molecular weight of 412.44 g/mol. Its IUPAC name is 2-(1-methylpiperidin-3-yl)-6-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(1-methylpiperidin-3-yl)-6-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
PubChem CID155847062
Molecular FormulaC18H19F3N4O2S
Molecular Weight412.44 g/mol
Exact Mass412.12
IUPAC Name2-(1-methylpiperidin-3-yl)-6-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
SMILESCN1CCCC(c2nc3ccc(-c4cccs4)cn3n2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H18N4S.C2HF3O2/c1-19-8-2-4-13(10-19)16-17-15-7-6-12(11-20(15)18-16)14-5-3-9-21-14;3-2(4,5)1(6)7/h3,5-7,9,11,13H,2,4,8,10H2,1H3;(H,6,7)
InChIKeyFCTHUJGJNDOYOE-UHFFFAOYSA-N
XLogP3.90
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-3-yl)-6-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(1-methylpiperidin-3-yl)-6-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid (CID 155847062) is 2-(1-methylpiperidin-3-yl)-6-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(1-methylpiperidin-3-yl)-6-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(1-methylpiperidin-3-yl)-6-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid is CN1CCCC(c2nc3ccc(-c4cccs4)cn3n2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(1-methylpiperidin-3-yl)-6-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?
The InChIKey is FCTHUJGJNDOYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S.C2HF3O2/c1-19-8-2-4-13(10-19)16-17-15-7-6-12(11-20(15)18-16)14-5-3-9-21-14;3-2(4,5)1(6)7/h3,5-7,9,11,13H,2,4,8,10H2,1H3;(H,6,7).
What are the key properties of 2-(1-methylpiperidin-3-yl)-6-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?
2-(1-methylpiperidin-3-yl)-6-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 412.44 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-3-yl)-6-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155847062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).