N-[1-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]methanesulfonamide

C13H11BrClF3N4O3S — CID 46864390

IUPACN-[1-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CN(C(=O)c2nc3c(C(F)(F)F)cc(Br)cn3c2Cl)C1
InChIInChI=1S/C13H11BrClF3N4O3S/c1-26(24,25)20-7-4-21(5-7)12(23)9-10(15)22-3-6(14)2-8(11(22)19-9)13(16,17)18/h2-3,7,20H,4-5H2,1H3
InChIKeyYKNXONUQMQGNML-UHFFFAOYSA-N
MW475.67 g/mol
LogP2.14
Rot. Bonds3

About N-[1-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]methanesulfonamide

N-[1-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]methanesulfonamide (PubChem CID 46864390) has the molecular formula C13H11BrClF3N4O3S and a molecular weight of 475.67 g/mol. Its IUPAC name is N-[1-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]methanesulfonamide
PubChem CID46864390
Molecular FormulaC13H11BrClF3N4O3S
Molecular Weight475.67 g/mol
Exact Mass473.94
IUPAC NameN-[1-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CN(C(=O)c2nc3c(C(F)(F)F)cc(Br)cn3c2Cl)C1
InChIInChI=1S/C13H11BrClF3N4O3S/c1-26(24,25)20-7-4-21(5-7)12(23)9-10(15)22-3-6(14)2-8(11(22)19-9)13(16,17)18/h2-3,7,20H,4-5H2,1H3
InChIKeyYKNXONUQMQGNML-UHFFFAOYSA-N
XLogP2.14
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.67
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]methanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]methanesulfonamide (CID 46864390) is N-[1-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]methanesulfonamide is CS(=O)(=O)NC1CN(C(=O)c2nc3c(C(F)(F)F)cc(Br)cn3c2Cl)C1.
What is the InChIKey of N-[1-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]methanesulfonamide?
The InChIKey is YKNXONUQMQGNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClF3N4O3S/c1-26(24,25)20-7-4-21(5-7)12(23)9-10(15)22-3-6(14)2-8(11(22)19-9)13(16,17)18/h2-3,7,20H,4-5H2,1H3.
What are the key properties of N-[1-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]methanesulfonamide?
N-[1-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]methanesulfonamide has a molecular weight of 475.67 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]methanesulfonamide is sourced from PubChem (CID 46864390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).