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

C20H17FN6O2 — CID 91893015

IUPACN-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NCc1nnc2c(-c3nc(C4CC4)no3)cccn12
InChIInChI=1S/C20H17FN6O2/c21-14-7-3-12(4-8-14)10-17(28)22-11-16-24-25-19-15(2-1-9-27(16)19)20-23-18(26-29-20)13-5-6-13/h1-4,7-9,13H,5-6,10-11H2,(H,22,28)
InChIKeyCLKKHQFNTJOLIK-UHFFFAOYSA-N
MW392.39 g/mol
LogP2.65
Rot. Bonds6

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

N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-(4-fluorophenyl)acetamide (PubChem CID 91893015) has the molecular formula C20H17FN6O2 and a molecular weight of 392.39 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]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-(4-fluorophenyl)acetamide
PubChem CID91893015
Molecular FormulaC20H17FN6O2
Molecular Weight392.39 g/mol
Exact Mass392.14
IUPAC NameN-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NCc1nnc2c(-c3nc(C4CC4)no3)cccn12
InChIInChI=1S/C20H17FN6O2/c21-14-7-3-12(4-8-14)10-17(28)22-11-16-24-25-19-15(2-1-9-27(16)19)20-23-18(26-29-20)13-5-6-13/h1-4,7-9,13H,5-6,10-11H2,(H,22,28)
InChIKeyCLKKHQFNTJOLIK-UHFFFAOYSA-N
XLogP2.65
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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]-2-(4-fluorophenyl)acetamide?
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]-2-(4-fluorophenyl)acetamide (CID 91893015) is N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-(4-fluorophenyl)acetamide.
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]-2-(4-fluorophenyl)acetamide?
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]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)NCc1nnc2c(-c3nc(C4CC4)no3)cccn12.
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]-2-(4-fluorophenyl)acetamide?
The InChIKey is CLKKHQFNTJOLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O2/c21-14-7-3-12(4-8-14)10-17(28)22-11-16-24-25-19-15(2-1-9-27(16)19)20-23-18(26-29-20)13-5-6-13/h1-4,7-9,13H,5-6,10-11H2,(H,22,28).
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]-2-(4-fluorophenyl)acetamide?
N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 392.39 g/mol, XLogP of 2.65, 6 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]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 91893015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).