3-fluoro-N-[[8-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide

C19H17FN6O2 — CID 91892989

IUPAC3-fluoro-N-[[8-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
SMILESCCCc1noc(-c2cccn3c(CNC(=O)c4cccc(F)c4)nnc23)n1
InChIInChI=1S/C19H17FN6O2/c1-2-5-15-22-19(28-25-15)14-8-4-9-26-16(23-24-17(14)26)11-21-18(27)12-6-3-7-13(20)10-12/h3-4,6-10H,2,5,11H2,1H3,(H,21,27)
InChIKeyVNYXKWZOGUWLEG-UHFFFAOYSA-N
MW380.38 g/mol
LogP2.80
Rot. Bonds6

About 3-fluoro-N-[[8-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide

3-fluoro-N-[[8-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide (PubChem CID 91892989) has the molecular formula C19H17FN6O2 and a molecular weight of 380.38 g/mol. Its IUPAC name is 3-fluoro-N-[[8-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[[8-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
PubChem CID91892989
Molecular FormulaC19H17FN6O2
Molecular Weight380.38 g/mol
Exact Mass380.14
IUPAC Name3-fluoro-N-[[8-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
SMILESCCCc1noc(-c2cccn3c(CNC(=O)c4cccc(F)c4)nnc23)n1
InChIInChI=1S/C19H17FN6O2/c1-2-5-15-22-19(28-25-15)14-8-4-9-26-16(23-24-17(14)26)11-21-18(27)12-6-3-7-13(20)10-12/h3-4,6-10H,2,5,11H2,1H3,(H,21,27)
InChIKeyVNYXKWZOGUWLEG-UHFFFAOYSA-N
XLogP2.80
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[8-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
The IUPAC name of 3-fluoro-N-[[8-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide (CID 91892989) is 3-fluoro-N-[[8-(3-propyl-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-fluoro-N-[[8-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
The canonical SMILES for 3-fluoro-N-[[8-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide is CCCc1noc(-c2cccn3c(CNC(=O)c4cccc(F)c4)nnc23)n1.
What is the InChIKey of 3-fluoro-N-[[8-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
The InChIKey is VNYXKWZOGUWLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O2/c1-2-5-15-22-19(28-25-15)14-8-4-9-26-16(23-24-17(14)26)11-21-18(27)12-6-3-7-13(20)10-12/h3-4,6-10H,2,5,11H2,1H3,(H,21,27).
What are the key properties of 3-fluoro-N-[[8-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
3-fluoro-N-[[8-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide has a molecular weight of 380.38 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[8-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide is sourced from PubChem (CID 91892989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).