3-chloro-4-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 91893185

IUPAC3-chloro-4-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)c4ccc(F)c(Cl)c4)nnc3c2)n1
InChIInChI=1S/C17H12ClFN6O2/c1-9-21-17(27-24-9)11-4-5-25-14(7-11)22-23-15(25)8-20-16(26)10-2-3-13(19)12(18)6-10/h2-7H,8H2,1H3,(H,20,26)
InChIKeyRJQJFIVXNGZCFB-UHFFFAOYSA-N
MW386.77 g/mol
LogP2.81
Rot. Bonds4

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

3-chloro-4-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 91893185) has the molecular formula C17H12ClFN6O2 and a molecular weight of 386.77 g/mol. Its IUPAC name is 3-chloro-4-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 Name3-chloro-4-fluoro-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
PubChem CID91893185
Molecular FormulaC17H12ClFN6O2
Molecular Weight386.77 g/mol
Exact Mass386.07
IUPAC Name3-chloro-4-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)c4ccc(F)c(Cl)c4)nnc3c2)n1
InChIInChI=1S/C17H12ClFN6O2/c1-9-21-17(27-24-9)11-4-5-25-14(7-11)22-23-15(25)8-20-16(26)10-2-3-13(19)12(18)6-10/h2-7H,8H2,1H3,(H,20,26)
InChIKeyRJQJFIVXNGZCFB-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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-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 3-chloro-4-fluoro-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide (CID 91893185) is 3-chloro-4-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 3-chloro-4-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 3-chloro-4-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)c4ccc(F)c(Cl)c4)nnc3c2)n1.
What is the InChIKey of 3-chloro-4-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 RJQJFIVXNGZCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN6O2/c1-9-21-17(27-24-9)11-4-5-25-14(7-11)22-23-15(25)8-20-16(26)10-2-3-13(19)12(18)6-10/h2-7H,8H2,1H3,(H,20,26).
What are the key properties of 3-chloro-4-fluoro-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
3-chloro-4-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 3-chloro-4-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 91893185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).