2-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 91893183

IUPAC2-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)cc4Cl)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)12-3-2-11(19)7-13(12)18/h2-7H,8H2,1H3,(H,20,26)
InChIKeyBXWDGOQPNXFHSF-UHFFFAOYSA-N
MW386.77 g/mol
LogP2.81
Rot. Bonds4

About 2-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

2-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 91893183) has the molecular formula C17H12ClFN6O2 and a molecular weight of 386.77 g/mol. Its IUPAC name is 2-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 Name2-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 CID91893183
Molecular FormulaC17H12ClFN6O2
Molecular Weight386.77 g/mol
Exact Mass386.07
IUPAC Name2-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)cc4Cl)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)12-3-2-11(19)7-13(12)18/h2-7H,8H2,1H3,(H,20,26)
InChIKeyBXWDGOQPNXFHSF-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 2-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 with MolForge

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Related Compounds

3-methoxy-1-methyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrazole-4-carboxamide
CID 91631830
N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-4-carboxamide
CID 91893207
N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-3-carboxamide
CID 91631866
3-fluoro-4-methoxy-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 91631867
1,3,5-trimethyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrazole-4-carboxamide
CID 91631843
1-methyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]triazole-4-carboxamide
CID 91631834
2,4-dimethyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,3-thiazole-5-carboxamide
CID 91631828
2-methyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 91817928
5,7-dimethyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 91631844
3-methoxy-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 91893208
N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 91631873
2-(3-methoxyphenyl)-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
CID 91893180

Frequently Asked Questions

What is the IUPAC name of 2-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 2-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 91893183) is 2-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 2-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 2-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)cc4Cl)nnc3c2)n1.
What is the InChIKey of 2-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 BXWDGOQPNXFHSF-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)12-3-2-11(19)7-13(12)18/h2-7H,8H2,1H3,(H,20,26).
What are the key properties of 2-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?
2-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 2-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 91893183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).