N-(3-bromophenyl)-N-hydroxy-2-(2-methylsulfonylethylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide

C16H17BrN6O3S — CID 122704591

IUPACN-(3-bromophenyl)-N-hydroxy-2-(2-methylsulfonylethylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide
SMILES[H]/N=C(/c1ccnc2nc(NCCS(C)(=O)=O)[nH]c12)N(O)c1cccc(Br)c1
InChIInChI=1S/C16H17BrN6O3S/c1-27(25,26)8-7-20-16-21-13-12(5-6-19-15(13)22-16)14(18)23(24)11-4-2-3-10(17)9-11/h2-6,9,18,24H,7-8H2,1H3,(H2,19,20,21,22)/b18-14-
InChIKeyNBPUZZCJPWBYOG-JXAWBTAJSA-N
MW453.32 g/mol
LogP2.40
Rot. Bonds6

About N-(3-bromophenyl)-N-hydroxy-2-(2-methylsulfonylethylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide

N-(3-bromophenyl)-N-hydroxy-2-(2-methylsulfonylethylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide (PubChem CID 122704591) has the molecular formula C16H17BrN6O3S and a molecular weight of 453.32 g/mol. Its IUPAC name is N-(3-bromophenyl)-N-hydroxy-2-(2-methylsulfonylethylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-N-hydroxy-2-(2-methylsulfonylethylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide
PubChem CID122704591
Molecular FormulaC16H17BrN6O3S
Molecular Weight453.32 g/mol
Exact Mass452.03
IUPAC NameN-(3-bromophenyl)-N-hydroxy-2-(2-methylsulfonylethylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide
SMILES[H]/N=C(/c1ccnc2nc(NCCS(C)(=O)=O)[nH]c12)N(O)c1cccc(Br)c1
InChIInChI=1S/C16H17BrN6O3S/c1-27(25,26)8-7-20-16-21-13-12(5-6-19-15(13)22-16)14(18)23(24)11-4-2-3-10(17)9-11/h2-6,9,18,24H,7-8H2,1H3,(H2,19,20,21,22)/b18-14-
InChIKeyNBPUZZCJPWBYOG-JXAWBTAJSA-N
XLogP2.40
TPSA135.06 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.32
LogP ≤ 52.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(3-bromophenyl)-N-hydroxy-2-(2-methylsulfonylethylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide 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-(3-bromophenyl)-N-hydroxy-2-(methylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 122704520
N-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[2-(sulfamoylamino)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 122704432
2-[amino(methylsulfonyl)methyl]-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 122687745
3-bromo-N-(3-methylsulfonylpropyl)aniline
CID 63190564
4-bromo-2-(2-methylsulfonylethylamino)benzoic acid
CID 114907175
2-(methylsulfonylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 112582644
N-(3-bromophenyl)-N-hydroxyacetamide
CID 3015973
N-(2-methylsulfonylethyl)pyrido[2,3-b]pyrazin-6-amine
CID 78955171
6-bromo-4-N-(2-methylsulfonylethyl)quinoline-3,4-diamine
CID 54934689
N-(3-bromophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113062819
N-[3-fluoro-5-(trifluoromethyl)phenyl]-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 122704458
N-(2-methylsulfonylethyl)-7H-purin-6-amine
CID 60919261

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N-hydroxy-2-(2-methylsulfonylethylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide?
The IUPAC name of N-(3-bromophenyl)-N-hydroxy-2-(2-methylsulfonylethylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide (CID 122704591) is N-(3-bromophenyl)-N-hydroxy-2-(2-methylsulfonylethylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide.
What is the SMILES notation for N-(3-bromophenyl)-N-hydroxy-2-(2-methylsulfonylethylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide?
The canonical SMILES for N-(3-bromophenyl)-N-hydroxy-2-(2-methylsulfonylethylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide is [H]/N=C(/c1ccnc2nc(NCCS(C)(=O)=O)[nH]c12)N(O)c1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-N-hydroxy-2-(2-methylsulfonylethylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide?
The InChIKey is NBPUZZCJPWBYOG-JXAWBTAJSA-N. The full InChI is InChI=1S/C16H17BrN6O3S/c1-27(25,26)8-7-20-16-21-13-12(5-6-19-15(13)22-16)14(18)23(24)11-4-2-3-10(17)9-11/h2-6,9,18,24H,7-8H2,1H3,(H2,19,20,21,22)/b18-14-.
What are the key properties of N-(3-bromophenyl)-N-hydroxy-2-(2-methylsulfonylethylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide?
N-(3-bromophenyl)-N-hydroxy-2-(2-methylsulfonylethylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide has a molecular weight of 453.32 g/mol, XLogP of 2.40, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-N-hydroxy-2-(2-methylsulfonylethylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide is sourced from PubChem (CID 122704591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).