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

C20H23ClN4O — CID 57459491

IUPAC8-chloro-3-(ethoxymethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCOCc1nnc2c(Cl)c(N3CCC(c4ccccc4)CC3)ccn12
InChIInChI=1S/C20H23ClN4O/c1-2-26-14-18-22-23-20-19(21)17(10-13-25(18)20)24-11-8-16(9-12-24)15-6-4-3-5-7-15/h3-7,10,13,16H,2,8-9,11-12,14H2,1H3
InChIKeyOJSORRHZDROFOI-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.30
Rot. Bonds5

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

8-chloro-3-(ethoxymethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 57459491) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is 8-chloro-3-(ethoxymethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-chloro-3-(ethoxymethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID57459491
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC Name8-chloro-3-(ethoxymethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCOCc1nnc2c(Cl)c(N3CCC(c4ccccc4)CC3)ccn12
InChIInChI=1S/C20H23ClN4O/c1-2-26-14-18-22-23-20-19(21)17(10-13-25(18)20)24-11-8-16(9-12-24)15-6-4-3-5-7-15/h3-7,10,13,16H,2,8-9,11-12,14H2,1H3
InChIKeyOJSORRHZDROFOI-UHFFFAOYSA-N
XLogP4.30
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-chloro-3-(ethoxymethyl)-7-(4-phenylpiperidin-1-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

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(ethoxymethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-chloro-3-(ethoxymethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 57459491) is 8-chloro-3-(ethoxymethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-chloro-3-(ethoxymethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-chloro-3-(ethoxymethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine is CCOCc1nnc2c(Cl)c(N3CCC(c4ccccc4)CC3)ccn12.
What is the InChIKey of 8-chloro-3-(ethoxymethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is OJSORRHZDROFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O/c1-2-26-14-18-22-23-20-19(21)17(10-13-25(18)20)24-11-8-16(9-12-24)15-6-4-3-5-7-15/h3-7,10,13,16H,2,8-9,11-12,14H2,1H3.
What are the key properties of 8-chloro-3-(ethoxymethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine?
8-chloro-3-(ethoxymethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 370.88 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(ethoxymethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 57459491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).