N-(8-bromoimidazo[1,2-a]pyridin-3-yl)-1-methylsulfonylcyclobutane-1-carboxamide

C13H14BrN3O3S — CID 128903491

IUPACN-(8-bromoimidazo[1,2-a]pyridin-3-yl)-1-methylsulfonylcyclobutane-1-carboxamide
SMILESCS(=O)(=O)C1(C(=O)Nc2cnc3c(Br)cccn23)CCC1
InChIInChI=1S/C13H14BrN3O3S/c1-21(19,20)13(5-3-6-13)12(18)16-10-8-15-11-9(14)4-2-7-17(10)11/h2,4,7-8H,3,5-6H2,1H3,(H,16,18)
InChIKeyKHAUQYUWNWPMAD-UHFFFAOYSA-N
MW372.24 g/mol
LogP2.00
Rot. Bonds3

About N-(8-bromoimidazo[1,2-a]pyridin-3-yl)-1-methylsulfonylcyclobutane-1-carboxamide

N-(8-bromoimidazo[1,2-a]pyridin-3-yl)-1-methylsulfonylcyclobutane-1-carboxamide (PubChem CID 128903491) has the molecular formula C13H14BrN3O3S and a molecular weight of 372.24 g/mol. Its IUPAC name is N-(8-bromoimidazo[1,2-a]pyridin-3-yl)-1-methylsulfonylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(8-bromoimidazo[1,2-a]pyridin-3-yl)-1-methylsulfonylcyclobutane-1-carboxamide
PubChem CID128903491
Molecular FormulaC13H14BrN3O3S
Molecular Weight372.24 g/mol
Exact Mass370.99
IUPAC NameN-(8-bromoimidazo[1,2-a]pyridin-3-yl)-1-methylsulfonylcyclobutane-1-carboxamide
SMILESCS(=O)(=O)C1(C(=O)Nc2cnc3c(Br)cccn23)CCC1
InChIInChI=1S/C13H14BrN3O3S/c1-21(19,20)13(5-3-6-13)12(18)16-10-8-15-11-9(14)4-2-7-17(10)11/h2,4,7-8H,3,5-6H2,1H3,(H,16,18)
InChIKeyKHAUQYUWNWPMAD-UHFFFAOYSA-N
XLogP2.00
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.24
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(8-bromoimidazo[1,2-a]pyridin-3-yl)-1-methylsulfonylcyclobutane-1-carboxamide 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-(8-bromoimidazo[1,2-a]pyridin-3-yl)-1-methylsulfonylcyclobutane-1-carboxamide?
The IUPAC name of N-(8-bromoimidazo[1,2-a]pyridin-3-yl)-1-methylsulfonylcyclobutane-1-carboxamide (CID 128903491) is N-(8-bromoimidazo[1,2-a]pyridin-3-yl)-1-methylsulfonylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(8-bromoimidazo[1,2-a]pyridin-3-yl)-1-methylsulfonylcyclobutane-1-carboxamide?
The canonical SMILES for N-(8-bromoimidazo[1,2-a]pyridin-3-yl)-1-methylsulfonylcyclobutane-1-carboxamide is CS(=O)(=O)C1(C(=O)Nc2cnc3c(Br)cccn23)CCC1.
What is the InChIKey of N-(8-bromoimidazo[1,2-a]pyridin-3-yl)-1-methylsulfonylcyclobutane-1-carboxamide?
The InChIKey is KHAUQYUWNWPMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O3S/c1-21(19,20)13(5-3-6-13)12(18)16-10-8-15-11-9(14)4-2-7-17(10)11/h2,4,7-8H,3,5-6H2,1H3,(H,16,18).
What are the key properties of N-(8-bromoimidazo[1,2-a]pyridin-3-yl)-1-methylsulfonylcyclobutane-1-carboxamide?
N-(8-bromoimidazo[1,2-a]pyridin-3-yl)-1-methylsulfonylcyclobutane-1-carboxamide has a molecular weight of 372.24 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-bromoimidazo[1,2-a]pyridin-3-yl)-1-methylsulfonylcyclobutane-1-carboxamide is sourced from PubChem (CID 128903491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).