N-(4-chloro-2-nitrophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide

C15H11ClN4O3S — CID 31709417

IUPACN-(4-chloro-2-nitrophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide
SMILESO=C(CSc1ncc2ccccn12)Nc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C15H11ClN4O3S/c16-10-4-5-12(13(7-10)20(22)23)18-14(21)9-24-15-17-8-11-3-1-2-6-19(11)15/h1-8H,9H2,(H,18,21)
InChIKeyFYQLZGSNBYENHQ-UHFFFAOYSA-N
MW362.80 g/mol
LogP3.63
Rot. Bonds5

About N-(4-chloro-2-nitrophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide

N-(4-chloro-2-nitrophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide (PubChem CID 31709417) has the molecular formula C15H11ClN4O3S and a molecular weight of 362.80 g/mol. Its IUPAC name is N-(4-chloro-2-nitrophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-chloro-2-nitrophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide
PubChem CID31709417
Molecular FormulaC15H11ClN4O3S
Molecular Weight362.80 g/mol
Exact Mass362.02
IUPAC NameN-(4-chloro-2-nitrophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide
SMILESO=C(CSc1ncc2ccccn12)Nc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C15H11ClN4O3S/c16-10-4-5-12(13(7-10)20(22)23)18-14(21)9-24-15-17-8-11-3-1-2-6-19(11)15/h1-8H,9H2,(H,18,21)
InChIKeyFYQLZGSNBYENHQ-UHFFFAOYSA-N
XLogP3.63
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.80
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-chloro-2-nitrophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide 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-(5-chloro-2-methylphenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide
CID 31662305
N-(5-chloro-2-cyanophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide
CID 78765671
N-(4-chloro-2-nitrophenyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 112779855
N-(4-chloro-2-nitrophenyl)-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 112770639
N-(4-bromo-2-methylphenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide
CID 17439635
N-(4-chloro-2-nitrophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 3390074
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(4-chloro-2-nitrophenyl)acetamide
CID 27045960
N-(4-chloro-2-nitrophenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 112785120
N-(4-chloro-2-nitrophenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7908512
2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-(2-nitrophenyl)propanamide
CID 46794291
N-(4-chloro-2-nitrophenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 23903462
[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate
CID 29486724

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-nitrophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide?
The IUPAC name of N-(4-chloro-2-nitrophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide (CID 31709417) is N-(4-chloro-2-nitrophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide.
What is the SMILES notation for N-(4-chloro-2-nitrophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide?
The canonical SMILES for N-(4-chloro-2-nitrophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide is O=C(CSc1ncc2ccccn12)Nc1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-chloro-2-nitrophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide?
The InChIKey is FYQLZGSNBYENHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O3S/c16-10-4-5-12(13(7-10)20(22)23)18-14(21)9-24-15-17-8-11-3-1-2-6-19(11)15/h1-8H,9H2,(H,18,21).
What are the key properties of N-(4-chloro-2-nitrophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide?
N-(4-chloro-2-nitrophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide has a molecular weight of 362.80 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-nitrophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide is sourced from PubChem (CID 31709417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).