3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine

C17H16F3N5 — CID 34042724

IUPAC3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)c1ccc(N2CCC(c3nnc4ccccn34)CC2)nc1
InChIInChI=1S/C17H16F3N5/c18-17(19,20)13-4-5-14(21-11-13)24-9-6-12(7-10-24)16-23-22-15-3-1-2-8-25(15)16/h1-5,8,11-12H,6-7,9-10H2
InChIKeyROAGNKMHRIMWBP-UHFFFAOYSA-N
MW347.34 g/mol
LogP3.53
Rot. Bonds2

About 3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine

3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 34042724) has the molecular formula C17H16F3N5 and a molecular weight of 347.34 g/mol. Its IUPAC name is 3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID34042724
Molecular FormulaC17H16F3N5
Molecular Weight347.34 g/mol
Exact Mass347.14
IUPAC Name3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)c1ccc(N2CCC(c3nnc4ccccn34)CC2)nc1
InChIInChI=1S/C17H16F3N5/c18-17(19,20)13-4-5-14(21-11-13)24-9-6-12(7-10-24)16-23-22-15-3-1-2-8-25(15)16/h1-5,8,11-12H,6-7,9-10H2
InChIKeyROAGNKMHRIMWBP-UHFFFAOYSA-N
XLogP3.53
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 55649721
[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium
CID 28873857
2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 59059706
(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
CID 94895243
3-[6-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
CID 91783807
3-(thian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138801
3-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 133345646
N-benzyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
CID 119111040
3-piperidin-1-yl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 165433334
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
2-[5-(trifluoromethyl)-2-pyridinyl]-1,3-dihydroisoindole
CID 171327222
(6-methyl-3-pyridinyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 35899826

Frequently Asked Questions

What is the IUPAC name of 3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine (CID 34042724) is 3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine is FC(F)(F)c1ccc(N2CCC(c3nnc4ccccn34)CC2)nc1.
What is the InChIKey of 3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is ROAGNKMHRIMWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5/c18-17(19,20)13-4-5-14(21-11-13)24-9-6-12(7-10-24)16-23-22-15-3-1-2-8-25(15)16/h1-5,8,11-12H,6-7,9-10H2.
What are the key properties of 3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine?
3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 347.34 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 34042724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).