2-(5-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide

C17H17BrN4O2 — CID 148659040

IUPAC2-(5-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
SMILESCc1ccc([C@H](C)NC(=O)Cn2nc3cccc(Br)n3c2=O)cc1
InChIInChI=1S/C17H17BrN4O2/c1-11-6-8-13(9-7-11)12(2)19-16(23)10-21-17(24)22-14(18)4-3-5-15(22)20-21/h3-9,12H,10H2,1-2H3,(H,19,23)/t12-/m0/s1
InChIKeyNNKJBTZNJTVZRB-LBPRGKRZSA-N
MW389.25 g/mol
LogP2.44
Rot. Bonds4

About 2-(5-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide

2-(5-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide (PubChem CID 148659040) has the molecular formula C17H17BrN4O2 and a molecular weight of 389.25 g/mol. Its IUPAC name is 2-(5-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
PubChem CID148659040
Molecular FormulaC17H17BrN4O2
Molecular Weight389.25 g/mol
Exact Mass388.05
IUPAC Name2-(5-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
SMILESCc1ccc([C@H](C)NC(=O)Cn2nc3cccc(Br)n3c2=O)cc1
InChIInChI=1S/C17H17BrN4O2/c1-11-6-8-13(9-7-11)12(2)19-16(23)10-21-17(24)22-14(18)4-3-5-15(22)20-21/h3-9,12H,10H2,1-2H3,(H,19,23)/t12-/m0/s1
InChIKeyNNKJBTZNJTVZRB-LBPRGKRZSA-N
XLogP2.44
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.25
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-(5-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide 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

N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 95589526
2-[8-(2,2-difluoroethylamino)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 147018093
2-(6-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 147048009
2-(6-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 147323186
2-(7-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 147641221
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 147987797
2-(8-amino-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 149618414
N-[(1S)-1-(4-methylphenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide
CID 149784975
2-(5,7-dimethyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 150050373
2-(8-methoxy-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 150924716
tert-butyl N-[2-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-8-yl]carbamate
CID 150944515
2-[8-(methylamino)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 151533016

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-(5-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide (CID 148659040) is 2-(5-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(5-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(5-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide is Cc1ccc([C@H](C)NC(=O)Cn2nc3cccc(Br)n3c2=O)cc1.
What is the InChIKey of 2-(5-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?
The InChIKey is NNKJBTZNJTVZRB-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17BrN4O2/c1-11-6-8-13(9-7-11)12(2)19-16(23)10-21-17(24)22-14(18)4-3-5-15(22)20-21/h3-9,12H,10H2,1-2H3,(H,19,23)/t12-/m0/s1.
What are the key properties of 2-(5-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?
2-(5-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide has a molecular weight of 389.25 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 148659040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).