N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4-fluorobenzamide

C19H15FN6O2 — CID 91893011

IUPACN-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4-fluorobenzamide
SMILESO=C(NCc1nnc2c(-c3nc(C4CC4)no3)cccn12)c1ccc(F)cc1
InChIInChI=1S/C19H15FN6O2/c20-13-7-5-12(6-8-13)18(27)21-10-15-23-24-17-14(2-1-9-26(15)17)19-22-16(25-28-19)11-3-4-11/h1-2,5-9,11H,3-4,10H2,(H,21,27)
InChIKeyXNZMIZCOVKARKB-UHFFFAOYSA-N
MW378.37 g/mol
LogP2.73
Rot. Bonds5

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

N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4-fluorobenzamide (PubChem CID 91893011) has the molecular formula C19H15FN6O2 and a molecular weight of 378.37 g/mol. Its IUPAC name is N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4-fluorobenzamide
PubChem CID91893011
Molecular FormulaC19H15FN6O2
Molecular Weight378.37 g/mol
Exact Mass378.12
IUPAC NameN-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4-fluorobenzamide
SMILESO=C(NCc1nnc2c(-c3nc(C4CC4)no3)cccn12)c1ccc(F)cc1
InChIInChI=1S/C19H15FN6O2/c20-13-7-5-12(6-8-13)18(27)21-10-15-23-24-17-14(2-1-9-26(15)17)19-22-16(25-28-19)11-3-4-11/h1-2,5-9,11H,3-4,10H2,(H,21,27)
InChIKeyXNZMIZCOVKARKB-UHFFFAOYSA-N
XLogP2.73
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4-fluorobenzamide 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 N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4-fluorobenzamide?
The IUPAC name of N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4-fluorobenzamide (CID 91893011) is N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4-fluorobenzamide.
What is the SMILES notation for N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4-fluorobenzamide?
The canonical SMILES for N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4-fluorobenzamide is O=C(NCc1nnc2c(-c3nc(C4CC4)no3)cccn12)c1ccc(F)cc1.
What is the InChIKey of N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4-fluorobenzamide?
The InChIKey is XNZMIZCOVKARKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6O2/c20-13-7-5-12(6-8-13)18(27)21-10-15-23-24-17-14(2-1-9-26(15)17)19-22-16(25-28-19)11-3-4-11/h1-2,5-9,11H,3-4,10H2,(H,21,27).
What are the key properties of N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4-fluorobenzamide?
N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4-fluorobenzamide has a molecular weight of 378.37 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4-fluorobenzamide is sourced from PubChem (CID 91893011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).