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

C20H17FN6O2 — CID 91893319

IUPACN-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2nnc3cc(-c4nc(C5CC5)no4)ccn23)cc1F
InChIInChI=1S/C20H17FN6O2/c1-11-2-3-13(8-15(11)21)19(28)22-10-17-25-24-16-9-14(6-7-27(16)17)20-23-18(26-29-20)12-4-5-12/h2-3,6-9,12H,4-5,10H2,1H3,(H,22,28)
InChIKeyDJEVXIOILVGMLG-UHFFFAOYSA-N
MW392.39 g/mol
LogP3.03
Rot. Bonds5

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

N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-fluoro-4-methylbenzamide (PubChem CID 91893319) has the molecular formula C20H17FN6O2 and a molecular weight of 392.39 g/mol. Its IUPAC name is N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-fluoro-4-methylbenzamide
PubChem CID91893319
Molecular FormulaC20H17FN6O2
Molecular Weight392.39 g/mol
Exact Mass392.14
IUPAC NameN-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2nnc3cc(-c4nc(C5CC5)no4)ccn23)cc1F
InChIInChI=1S/C20H17FN6O2/c1-11-2-3-13(8-15(11)21)19(28)22-10-17-25-24-16-9-14(6-7-27(16)17)20-23-18(26-29-20)12-4-5-12/h2-3,6-9,12H,4-5,10H2,1H3,(H,22,28)
InChIKeyDJEVXIOILVGMLG-UHFFFAOYSA-N
XLogP3.03
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-fluoro-4-methylbenzamide?
The IUPAC name of N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-fluoro-4-methylbenzamide (CID 91893319) is N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-fluoro-4-methylbenzamide is Cc1ccc(C(=O)NCc2nnc3cc(-c4nc(C5CC5)no4)ccn23)cc1F.
What is the InChIKey of N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-fluoro-4-methylbenzamide?
The InChIKey is DJEVXIOILVGMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O2/c1-11-2-3-13(8-15(11)21)19(28)22-10-17-25-24-16-9-14(6-7-27(16)17)20-23-18(26-29-20)12-4-5-12/h2-3,6-9,12H,4-5,10H2,1H3,(H,22,28).
What are the key properties of N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-fluoro-4-methylbenzamide?
N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-fluoro-4-methylbenzamide has a molecular weight of 392.39 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 91893319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).