3-ethyl-7-(4-phenylpiperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

C20H21F3N4 — CID 57459500

IUPAC3-ethyl-7-(4-phenylpiperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCc1nnc2c(C(F)(F)F)c(N3CCC(c4ccccc4)CC3)ccn12
InChIInChI=1S/C20H21F3N4/c1-2-17-24-25-19-18(20(21,22)23)16(10-13-27(17)19)26-11-8-15(9-12-26)14-6-4-3-5-7-14/h3-7,10,13,15H,2,8-9,11-12H2,1H3
InChIKeyPMHJRMIXYKVQTO-UHFFFAOYSA-N
MW374.41 g/mol
LogP4.69
Rot. Bonds3

About 3-ethyl-7-(4-phenylpiperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

3-ethyl-7-(4-phenylpiperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 57459500) has the molecular formula C20H21F3N4 and a molecular weight of 374.41 g/mol. Its IUPAC name is 3-ethyl-7-(4-phenylpiperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-ethyl-7-(4-phenylpiperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID57459500
Molecular FormulaC20H21F3N4
Molecular Weight374.41 g/mol
Exact Mass374.17
IUPAC Name3-ethyl-7-(4-phenylpiperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCc1nnc2c(C(F)(F)F)c(N3CCC(c4ccccc4)CC3)ccn12
InChIInChI=1S/C20H21F3N4/c1-2-17-24-25-19-18(20(21,22)23)16(10-13-27(17)19)26-11-8-15(9-12-26)14-6-4-3-5-7-14/h3-7,10,13,15H,2,8-9,11-12H2,1H3
InChIKeyPMHJRMIXYKVQTO-UHFFFAOYSA-N
XLogP4.69
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-(4-phenylpiperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-ethyl-7-(4-phenylpiperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 57459500) is 3-ethyl-7-(4-phenylpiperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-ethyl-7-(4-phenylpiperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-ethyl-7-(4-phenylpiperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is CCc1nnc2c(C(F)(F)F)c(N3CCC(c4ccccc4)CC3)ccn12.
What is the InChIKey of 3-ethyl-7-(4-phenylpiperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is PMHJRMIXYKVQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4/c1-2-17-24-25-19-18(20(21,22)23)16(10-13-27(17)19)26-11-8-15(9-12-26)14-6-4-3-5-7-14/h3-7,10,13,15H,2,8-9,11-12H2,1H3.
What are the key properties of 3-ethyl-7-(4-phenylpiperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
3-ethyl-7-(4-phenylpiperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 374.41 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-(4-phenylpiperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 57459500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).