5-chloro-2-fluoro-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide

C17H12ClFN6O2 — CID 91893184

IUPAC5-chloro-2-fluoro-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
SMILESCc1noc(-c2ccn3c(CNC(=O)c4cc(Cl)ccc4F)nnc3c2)n1
InChIInChI=1S/C17H12ClFN6O2/c1-9-21-17(27-24-9)10-4-5-25-14(6-10)22-23-15(25)8-20-16(26)12-7-11(18)2-3-13(12)19/h2-7H,8H2,1H3,(H,20,26)
InChIKeyRXJPOJIAKJJMQF-UHFFFAOYSA-N
MW386.77 g/mol
LogP2.81
Rot. Bonds4

About 5-chloro-2-fluoro-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide

5-chloro-2-fluoro-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide (PubChem CID 91893184) has the molecular formula C17H12ClFN6O2 and a molecular weight of 386.77 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
PubChem CID91893184
Molecular FormulaC17H12ClFN6O2
Molecular Weight386.77 g/mol
Exact Mass386.07
IUPAC Name5-chloro-2-fluoro-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
SMILESCc1noc(-c2ccn3c(CNC(=O)c4cc(Cl)ccc4F)nnc3c2)n1
InChIInChI=1S/C17H12ClFN6O2/c1-9-21-17(27-24-9)10-4-5-25-14(6-10)22-23-15(25)8-20-16(26)12-7-11(18)2-3-13(12)19/h2-7H,8H2,1H3,(H,20,26)
InChIKeyRXJPOJIAKJJMQF-UHFFFAOYSA-N
XLogP2.81
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.77
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-chloro-2-fluoro-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide 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 5-chloro-2-fluoro-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide (CID 91893184) is 5-chloro-2-fluoro-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide is Cc1noc(-c2ccn3c(CNC(=O)c4cc(Cl)ccc4F)nnc3c2)n1.
What is the InChIKey of 5-chloro-2-fluoro-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
The InChIKey is RXJPOJIAKJJMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN6O2/c1-9-21-17(27-24-9)10-4-5-25-14(6-10)22-23-15(25)8-20-16(26)12-7-11(18)2-3-13(12)19/h2-7H,8H2,1H3,(H,20,26).
What are the key properties of 5-chloro-2-fluoro-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
5-chloro-2-fluoro-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide has a molecular weight of 386.77 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide is sourced from PubChem (CID 91893184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).