3-(2-chlorophenyl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridine

C21H13ClFN5 — CID 23433788

IUPAC3-(2-chlorophenyl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFc1ccc(-c2[nH]ncc2-c2ccc3nnc(-c4ccccc4Cl)n3c2)cc1
InChIInChI=1S/C21H13ClFN5/c22-18-4-2-1-3-16(18)21-27-25-19-10-7-14(12-28(19)21)17-11-24-26-20(17)13-5-8-15(23)9-6-13/h1-12H,(H,24,26)
InChIKeyOCUIYWBGFIQLCH-UHFFFAOYSA-N
MW389.82 g/mol
LogP5.25
Rot. Bonds3

About 3-(2-chlorophenyl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridine

3-(2-chlorophenyl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 23433788) has the molecular formula C21H13ClFN5 and a molecular weight of 389.82 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID23433788
Molecular FormulaC21H13ClFN5
Molecular Weight389.82 g/mol
Exact Mass389.08
IUPAC Name3-(2-chlorophenyl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFc1ccc(-c2[nH]ncc2-c2ccc3nnc(-c4ccccc4Cl)n3c2)cc1
InChIInChI=1S/C21H13ClFN5/c22-18-4-2-1-3-16(18)21-27-25-19-10-7-14(12-28(19)21)17-11-24-26-20(17)13-5-8-15(23)9-6-13/h1-12H,(H,24,26)
InChIKeyOCUIYWBGFIQLCH-UHFFFAOYSA-N
XLogP5.25
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.82
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-chlorophenyl)-6-[5-(4-fluorophenyl)-1H-pyrazol-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

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(2-chlorophenyl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridine (CID 23433788) is 3-(2-chlorophenyl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(2-chlorophenyl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(2-chlorophenyl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridine is Fc1ccc(-c2[nH]ncc2-c2ccc3nnc(-c4ccccc4Cl)n3c2)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is OCUIYWBGFIQLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClFN5/c22-18-4-2-1-3-16(18)21-27-25-19-10-7-14(12-28(19)21)17-11-24-26-20(17)13-5-8-15(23)9-6-13/h1-12H,(H,24,26).
What are the key properties of 3-(2-chlorophenyl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridine?
3-(2-chlorophenyl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 389.82 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 23433788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).