7-[2-(5-chloro-2-fluorophenyl)-5-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine

C18H12ClFN4O — CID 90095713

IUPAC7-[2-(5-chloro-2-fluorophenyl)-5-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cnc(-c2cc(Cl)ccc2F)c(-c2ccn3ncnc3c2)c1
InChIInChI=1S/C18H12ClFN4O/c1-25-13-8-14(11-4-5-24-17(6-11)22-10-23-24)18(21-9-13)15-7-12(19)2-3-16(15)20/h2-10H,1H3
InChIKeyNLCRKSVNPNTANY-UHFFFAOYSA-N
MW354.77 g/mol
LogP4.26
Rot. Bonds3

About 7-[2-(5-chloro-2-fluorophenyl)-5-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine

7-[2-(5-chloro-2-fluorophenyl)-5-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 90095713) has the molecular formula C18H12ClFN4O and a molecular weight of 354.77 g/mol. Its IUPAC name is 7-[2-(5-chloro-2-fluorophenyl)-5-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-[2-(5-chloro-2-fluorophenyl)-5-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID90095713
Molecular FormulaC18H12ClFN4O
Molecular Weight354.77 g/mol
Exact Mass354.07
IUPAC Name7-[2-(5-chloro-2-fluorophenyl)-5-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cnc(-c2cc(Cl)ccc2F)c(-c2ccn3ncnc3c2)c1
InChIInChI=1S/C18H12ClFN4O/c1-25-13-8-14(11-4-5-24-17(6-11)22-10-23-24)18(21-9-13)15-7-12(19)2-3-16(15)20/h2-10H,1H3
InChIKeyNLCRKSVNPNTANY-UHFFFAOYSA-N
XLogP4.26
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.77
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[2-(5-chloro-2-fluorophenyl)-5-methoxy-3-pyridinyl]-[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 7-[2-(5-chloro-2-fluorophenyl)-5-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7-[2-(5-chloro-2-fluorophenyl)-5-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 90095713) is 7-[2-(5-chloro-2-fluorophenyl)-5-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-[2-(5-chloro-2-fluorophenyl)-5-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-[2-(5-chloro-2-fluorophenyl)-5-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine is COc1cnc(-c2cc(Cl)ccc2F)c(-c2ccn3ncnc3c2)c1.
What is the InChIKey of 7-[2-(5-chloro-2-fluorophenyl)-5-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is NLCRKSVNPNTANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN4O/c1-25-13-8-14(11-4-5-24-17(6-11)22-10-23-24)18(21-9-13)15-7-12(19)2-3-16(15)20/h2-10H,1H3.
What are the key properties of 7-[2-(5-chloro-2-fluorophenyl)-5-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine?
7-[2-(5-chloro-2-fluorophenyl)-5-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 354.77 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(5-chloro-2-fluorophenyl)-5-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 90095713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).