(2,6-dichlorophenyl)-[2-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-6-yl]methanone

C21H15Cl2N3O3S — CID 5330600

IUPAC(2,6-dichlorophenyl)-[2-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-6-yl]methanone
SMILESCS(=O)(=O)c1ccc(Nc2cn3cc(C(=O)c4c(Cl)cccc4Cl)ccc3n2)cc1
InChIInChI=1S/C21H15Cl2N3O3S/c1-30(28,29)15-8-6-14(7-9-15)24-18-12-26-11-13(5-10-19(26)25-18)21(27)20-16(22)3-2-4-17(20)23/h2-12,24H,1H3
InChIKeyXJMQITDMHCHBBA-UHFFFAOYSA-N
MW460.34 g/mol
LogP5.02
Rot. Bonds5

About (2,6-dichlorophenyl)-[2-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-6-yl]methanone

(2,6-dichlorophenyl)-[2-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-6-yl]methanone (PubChem CID 5330600) has the molecular formula C21H15Cl2N3O3S and a molecular weight of 460.34 g/mol. Its IUPAC name is (2,6-dichlorophenyl)-[2-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-6-yl]methanone.

Molecular Properties

Compound Name(2,6-dichlorophenyl)-[2-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-6-yl]methanone
PubChem CID5330600
Molecular FormulaC21H15Cl2N3O3S
Molecular Weight460.34 g/mol
Exact Mass459.02
IUPAC Name(2,6-dichlorophenyl)-[2-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-6-yl]methanone
SMILESCS(=O)(=O)c1ccc(Nc2cn3cc(C(=O)c4c(Cl)cccc4Cl)ccc3n2)cc1
InChIInChI=1S/C21H15Cl2N3O3S/c1-30(28,29)15-8-6-14(7-9-15)24-18-12-26-11-13(5-10-19(26)25-18)21(27)20-16(22)3-2-4-17(20)23/h2-12,24H,1H3
InChIKeyXJMQITDMHCHBBA-UHFFFAOYSA-N
XLogP5.02
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.34
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2,6-dichlorophenyl)-[2-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-6-yl]methanone 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 (2,6-dichlorophenyl)-[2-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-6-yl]methanone?
The IUPAC name of (2,6-dichlorophenyl)-[2-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-6-yl]methanone (CID 5330600) is (2,6-dichlorophenyl)-[2-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-6-yl]methanone.
What is the SMILES notation for (2,6-dichlorophenyl)-[2-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-6-yl]methanone?
The canonical SMILES for (2,6-dichlorophenyl)-[2-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-6-yl]methanone is CS(=O)(=O)c1ccc(Nc2cn3cc(C(=O)c4c(Cl)cccc4Cl)ccc3n2)cc1.
What is the InChIKey of (2,6-dichlorophenyl)-[2-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-6-yl]methanone?
The InChIKey is XJMQITDMHCHBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2N3O3S/c1-30(28,29)15-8-6-14(7-9-15)24-18-12-26-11-13(5-10-19(26)25-18)21(27)20-16(22)3-2-4-17(20)23/h2-12,24H,1H3.
What are the key properties of (2,6-dichlorophenyl)-[2-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-6-yl]methanone?
(2,6-dichlorophenyl)-[2-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-6-yl]methanone has a molecular weight of 460.34 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)-[2-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-6-yl]methanone is sourced from PubChem (CID 5330600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).