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

C20H17FN6O2 — CID 53179367

IUPAC2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(4-fluoro-3-methylphenyl)acetamide
SMILESCc1cc(NC(=O)Cc2nnc3c(-c4nc(C5CC5)no4)cccn23)ccc1F
InChIInChI=1S/C20H17FN6O2/c1-11-9-13(6-7-15(11)21)22-17(28)10-16-24-25-19-14(3-2-8-27(16)19)20-23-18(26-29-20)12-4-5-12/h2-3,6-9,12H,4-5,10H2,1H3,(H,22,28)
InChIKeyFAJUXLXTOKIBMR-UHFFFAOYSA-N
MW392.39 g/mol
LogP3.29
Rot. Bonds5

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

2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(4-fluoro-3-methylphenyl)acetamide (PubChem CID 53179367) has the molecular formula C20H17FN6O2 and a molecular weight of 392.39 g/mol. Its IUPAC name is 2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(4-fluoro-3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(4-fluoro-3-methylphenyl)acetamide
PubChem CID53179367
Molecular FormulaC20H17FN6O2
Molecular Weight392.39 g/mol
Exact Mass392.14
IUPAC Name2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(4-fluoro-3-methylphenyl)acetamide
SMILESCc1cc(NC(=O)Cc2nnc3c(-c4nc(C5CC5)no4)cccn23)ccc1F
InChIInChI=1S/C20H17FN6O2/c1-11-9-13(6-7-15(11)21)22-17(28)10-16-24-25-19-14(3-2-8-27(16)19)20-23-18(26-29-20)12-4-5-12/h2-3,6-9,12H,4-5,10H2,1H3,(H,22,28)
InChIKeyFAJUXLXTOKIBMR-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(3-methoxyphenyl)acetamide
CID 53179360
N-cyclopentyl-2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide
CID 53179368
N-cycloheptyl-2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide
CID 53179370
ethyl 2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetate
CID 97032640
N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,4-difluorobenzamide
CID 91893026
N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4-methoxy-2-methylbenzamide
CID 91893008
N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-phenylpropanamide
CID 91893007
N-(3-chlorophenyl)-2-[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide
CID 53179442
N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 91893033
N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-methoxybenzamide
CID 91893036
2-[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(3-methoxyphenyl)acetamide
CID 53179438
N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropanecarboxamide
CID 91631907

Frequently Asked Questions

What is the IUPAC name of 2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(4-fluoro-3-methylphenyl)acetamide?
The IUPAC name of 2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(4-fluoro-3-methylphenyl)acetamide (CID 53179367) is 2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(4-fluoro-3-methylphenyl)acetamide.
What is the SMILES notation for 2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(4-fluoro-3-methylphenyl)acetamide?
The canonical SMILES for 2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(4-fluoro-3-methylphenyl)acetamide is Cc1cc(NC(=O)Cc2nnc3c(-c4nc(C5CC5)no4)cccn23)ccc1F.
What is the InChIKey of 2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(4-fluoro-3-methylphenyl)acetamide?
The InChIKey is FAJUXLXTOKIBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O2/c1-11-9-13(6-7-15(11)21)22-17(28)10-16-24-25-19-14(3-2-8-27(16)19)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 2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(4-fluoro-3-methylphenyl)acetamide?
2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(4-fluoro-3-methylphenyl)acetamide has a molecular weight of 392.39 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(4-fluoro-3-methylphenyl)acetamide is sourced from PubChem (CID 53179367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).