2-(3-fluorophenyl)-N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide

C20H19FN6O2 — CID 91909338

IUPAC2-(3-fluorophenyl)-N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
SMILESCCCc1noc(-c2ccn3c(CNC(=O)Cc4cccc(F)c4)nnc3c2)n1
InChIInChI=1S/C20H19FN6O2/c1-2-4-16-23-20(29-26-16)14-7-8-27-17(11-14)24-25-18(27)12-22-19(28)10-13-5-3-6-15(21)9-13/h3,5-9,11H,2,4,10,12H2,1H3,(H,22,28)
InChIKeyPCYDZQLNZFJLFX-UHFFFAOYSA-N
MW394.41 g/mol
LogP2.73
Rot. Bonds7

About 2-(3-fluorophenyl)-N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide

2-(3-fluorophenyl)-N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide (PubChem CID 91909338) has the molecular formula C20H19FN6O2 and a molecular weight of 394.41 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
PubChem CID91909338
Molecular FormulaC20H19FN6O2
Molecular Weight394.41 g/mol
Exact Mass394.16
IUPAC Name2-(3-fluorophenyl)-N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
SMILESCCCc1noc(-c2ccn3c(CNC(=O)Cc4cccc(F)c4)nnc3c2)n1
InChIInChI=1S/C20H19FN6O2/c1-2-4-16-23-20(29-26-16)14-7-8-27-17(11-14)24-25-18(27)12-22-19(28)10-13-5-3-6-15(21)9-13/h3,5-9,11H,2,4,10,12H2,1H3,(H,22,28)
InChIKeyPCYDZQLNZFJLFX-UHFFFAOYSA-N
XLogP2.73
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(3-fluorophenyl)-N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide with MolForge

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Related Compounds

Isoxazole 80
CID 23647349
2-Chloro-4-fluoro-N-({8-[3-(propan-2-YL)-1,2,4-oxadiazol-5-YL]-[1,2,4]triazolo[4,3-A]pyridin-3-YL}methyl)benzamide
CID 91892963
2-Chloro-5-fluoro-N-({8-[3-(propan-2-YL)-1,2,4-oxadiazol-5-YL]-[1,2,4]triazolo[4,3-A]pyridin-3-YL}methyl)benzamide
CID 91892969
N-{[8-(3-Ethyl-1,2,4-oxadiazol-5-YL)-[1,2,4]triazolo[4,3-A]pyridin-3-YL]methyl}-3-fluorobenzamide
CID 91893121
N-{[8-(3-Ethyl-1,2,4-oxadiazol-5-YL)-[1,2,4]triazolo[4,3-A]pyridin-3-YL]methyl}-2-fluorobenzamide
CID 91893122
2-Chloro-4-fluoro-N-({7-[3-(propan-2-YL)-1,2,4-oxadiazol-5-YL]-[1,2,4]triazolo[4,3-A]pyridin-3-YL}methyl)benzamide
CID 91893294
N-{[7-(3-Cyclopropyl-1,2,4-oxadiazol-5-YL)-[1,2,4]triazolo[4,3-A]pyridin-3-YL]methyl}-3,4-difluorobenzamide
CID 91893342
2-fluoro-N-(6-(4-(4-fluoro-phenyl)-1,2-dimethyl-1H-imidazol-5-yl)imidazo[1,2-b] pyridazin-2-yl)benzamide
CID 118538786
1-[(1S)-1-(4-fluorophenyl)ethyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide
CID 136203272
1-[(3-fluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide
CID 136203277
1-[(4-fluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide
CID 136203288
2-Chloro-N-{[8-(3-cyclopropyl-1,2,4-oxadiazol-5-YL)-[1,2,4]triazolo[4,3-A]pyridin-3-YL]methyl}-6-fluorobenzamide
CID 91893067

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide (CID 91909338) is 2-(3-fluorophenyl)-N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide is CCCc1noc(-c2ccn3c(CNC(=O)Cc4cccc(F)c4)nnc3c2)n1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide?
The InChIKey is PCYDZQLNZFJLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O2/c1-2-4-16-23-20(29-26-16)14-7-8-27-17(11-14)24-25-18(27)12-22-19(28)10-13-5-3-6-15(21)9-13/h3,5-9,11H,2,4,10,12H2,1H3,(H,22,28).
What are the key properties of 2-(3-fluorophenyl)-N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide?
2-(3-fluorophenyl)-N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide has a molecular weight of 394.41 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide is sourced from PubChem (CID 91909338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).