8-(2-chloro-4-fluorophenyl)-2-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine

C24H23ClFN5 — CID 58398059

IUPAC8-(2-chloro-4-fluorophenyl)-2-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(N2CCC(Cc3nc4c(-c5ccc(F)cc5Cl)cccn4n3)CC2)ccn1
InChIInChI=1S/C24H23ClFN5/c1-16-13-19(6-9-27-16)30-11-7-17(8-12-30)14-23-28-24-21(3-2-10-31(24)29-23)20-5-4-18(26)15-22(20)25/h2-6,9-10,13,15,17H,7-8,11-12,14H2,1H3
InChIKeyPFJHMXKHIUHUII-UHFFFAOYSA-N
MW435.93 g/mol
LogP5.35
Rot. Bonds4

About 8-(2-chloro-4-fluorophenyl)-2-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine

8-(2-chloro-4-fluorophenyl)-2-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 58398059) has the molecular formula C24H23ClFN5 and a molecular weight of 435.93 g/mol. Its IUPAC name is 8-(2-chloro-4-fluorophenyl)-2-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-(2-chloro-4-fluorophenyl)-2-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID58398059
Molecular FormulaC24H23ClFN5
Molecular Weight435.93 g/mol
Exact Mass435.16
IUPAC Name8-(2-chloro-4-fluorophenyl)-2-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(N2CCC(Cc3nc4c(-c5ccc(F)cc5Cl)cccn4n3)CC2)ccn1
InChIInChI=1S/C24H23ClFN5/c1-16-13-19(6-9-27-16)30-11-7-17(8-12-30)14-23-28-24-21(3-2-10-31(24)29-23)20-5-4-18(26)15-22(20)25/h2-6,9-10,13,15,17H,7-8,11-12,14H2,1H3
InChIKeyPFJHMXKHIUHUII-UHFFFAOYSA-N
XLogP5.35
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.93
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-(2-chloro-4-fluorophenyl)-2-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-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-(2-chloro-4-fluorophenyl)-2-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-(2-chloro-4-fluorophenyl)-2-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 58398059) is 8-(2-chloro-4-fluorophenyl)-2-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-(2-chloro-4-fluorophenyl)-2-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-(2-chloro-4-fluorophenyl)-2-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc(N2CCC(Cc3nc4c(-c5ccc(F)cc5Cl)cccn4n3)CC2)ccn1.
What is the InChIKey of 8-(2-chloro-4-fluorophenyl)-2-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is PFJHMXKHIUHUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN5/c1-16-13-19(6-9-27-16)30-11-7-17(8-12-30)14-23-28-24-21(3-2-10-31(24)29-23)20-5-4-18(26)15-22(20)25/h2-6,9-10,13,15,17H,7-8,11-12,14H2,1H3.
What are the key properties of 8-(2-chloro-4-fluorophenyl)-2-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
8-(2-chloro-4-fluorophenyl)-2-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 435.93 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chloro-4-fluorophenyl)-2-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 58398059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).