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

C19H18ClF3N4 — CID 66788653

IUPAC8-chloro-7-(4-phenylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)Cc1nnc2c(Cl)c(N3CCC(c4ccccc4)CC3)ccn12
InChIInChI=1S/C19H18ClF3N4/c20-17-15(8-11-27-16(12-19(21,22)23)24-25-18(17)27)26-9-6-14(7-10-26)13-4-2-1-3-5-13/h1-5,8,11,14H,6-7,9-10,12H2
InChIKeyOELKXJHZARSUDW-UHFFFAOYSA-N
MW394.83 g/mol
LogP4.87
Rot. Bonds3

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

8-chloro-7-(4-phenylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 66788653) has the molecular formula C19H18ClF3N4 and a molecular weight of 394.83 g/mol. Its IUPAC name is 8-chloro-7-(4-phenylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-chloro-7-(4-phenylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID66788653
Molecular FormulaC19H18ClF3N4
Molecular Weight394.83 g/mol
Exact Mass394.12
IUPAC Name8-chloro-7-(4-phenylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)Cc1nnc2c(Cl)c(N3CCC(c4ccccc4)CC3)ccn12
InChIInChI=1S/C19H18ClF3N4/c20-17-15(8-11-27-16(12-19(21,22)23)24-25-18(17)27)26-9-6-14(7-10-26)13-4-2-1-3-5-13/h1-5,8,11,14H,6-7,9-10,12H2
InChIKeyOELKXJHZARSUDW-UHFFFAOYSA-N
XLogP4.87
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.83
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-(4-phenylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-chloro-7-(4-phenylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 66788653) is 8-chloro-7-(4-phenylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-chloro-7-(4-phenylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-chloro-7-(4-phenylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine is FC(F)(F)Cc1nnc2c(Cl)c(N3CCC(c4ccccc4)CC3)ccn12.
What is the InChIKey of 8-chloro-7-(4-phenylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is OELKXJHZARSUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N4/c20-17-15(8-11-27-16(12-19(21,22)23)24-25-18(17)27)26-9-6-14(7-10-26)13-4-2-1-3-5-13/h1-5,8,11,14H,6-7,9-10,12H2.
What are the key properties of 8-chloro-7-(4-phenylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine?
8-chloro-7-(4-phenylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 394.83 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-(4-phenylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 66788653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).