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

C19H16ClFN6O2 — CID 91892963

IUPAC2-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
SMILESCC(C)c1noc(-c2cccn3c(CNC(=O)c4ccc(F)cc4Cl)nnc23)n1
InChIInChI=1S/C19H16ClFN6O2/c1-10(2)16-23-19(29-26-16)13-4-3-7-27-15(24-25-17(13)27)9-22-18(28)12-6-5-11(21)8-14(12)20/h3-8,10H,9H2,1-2H3,(H,22,28)
InChIKeyMLQDVOPMZSBTAU-UHFFFAOYSA-N
MW414.83 g/mol
LogP3.63
Rot. Bonds5

About 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

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 (PubChem CID 91892963) has the molecular formula C19H16ClFN6O2 and a molecular weight of 414.83 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID91892963
Molecular FormulaC19H16ClFN6O2
Molecular Weight414.83 g/mol
Exact Mass414.10
IUPAC Name2-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
SMILESCC(C)c1noc(-c2cccn3c(CNC(=O)c4ccc(F)cc4Cl)nnc23)n1
InChIInChI=1S/C19H16ClFN6O2/c1-10(2)16-23-19(29-26-16)13-4-3-7-27-15(24-25-17(13)27)9-22-18(28)12-6-5-11(21)8-14(12)20/h3-8,10H,9H2,1-2H3,(H,22,28)
InChIKeyMLQDVOPMZSBTAU-UHFFFAOYSA-N
XLogP3.63
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.83
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Fluoro-4-methoxy-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 91892968
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-(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
1-[(4-chloro-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 135899031
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
2-Chloro-N-{[8-(3-ethyl-1,2,4-oxadiazol-5-YL)-[1,2,4]triazolo[4,3-A]pyridin-3-YL]methyl}-4-fluorobenzamide
CID 91893108
N-{[7-(3-Ethyl-1,2,4-oxadiazol-5-YL)-[1,2,4]triazolo[4,3-A]pyridin-3-YL]methyl}-2-(3-fluorophenyl)acetamide
CID 91893223
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1noc(-c2cccn3c(CNC(=O)c4ccc(F)cc4Cl)nnc23)n1.
What is the InChIKey of 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?
The InChIKey is MLQDVOPMZSBTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN6O2/c1-10(2)16-23-19(29-26-16)13-4-3-7-27-15(24-25-17(13)27)9-22-18(28)12-6-5-11(21)8-14(12)20/h3-8,10H,9H2,1-2H3,(H,22,28).
What are the key properties of 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?
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 has a molecular weight of 414.83 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91892963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).