2,4-difluoro-N-[5-(3-iodoimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide

C19H13F2IN4O3S — CID 86718346

IUPAC2,4-difluoro-N-[5-(3-iodoimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2ccc3ncc(I)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C19H13F2IN4O3S/c1-29-19-15(25-30(27,28)16-4-3-13(20)7-14(16)21)6-12(8-24-19)11-2-5-18-23-9-17(22)26(18)10-11/h2-10,25H,1H3
InChIKeyHQIXFESNZSMEHK-UHFFFAOYSA-N
MW542.31 g/mol
LogP4.09
Rot. Bonds5

About 2,4-difluoro-N-[5-(3-iodoimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide

2,4-difluoro-N-[5-(3-iodoimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide (PubChem CID 86718346) has the molecular formula C19H13F2IN4O3S and a molecular weight of 542.31 g/mol. Its IUPAC name is 2,4-difluoro-N-[5-(3-iodoimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[5-(3-iodoimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
PubChem CID86718346
Molecular FormulaC19H13F2IN4O3S
Molecular Weight542.31 g/mol
Exact Mass541.97
IUPAC Name2,4-difluoro-N-[5-(3-iodoimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2ccc3ncc(I)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C19H13F2IN4O3S/c1-29-19-15(25-30(27,28)16-4-3-13(20)7-14(16)21)6-12(8-24-19)11-2-5-18-23-9-17(22)26(18)10-11/h2-10,25H,1H3
InChIKeyHQIXFESNZSMEHK-UHFFFAOYSA-N
XLogP4.09
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.31
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2,4-difluoro-N-[5-(3-iodoimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide 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-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 74763474
2,4-difluoro-N-[5-[3-(3-hydroxyprop-1-ynyl)imidazo[1,2-a]pyridin-6-yl]-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 74763398
2,4-difluoro-N-[2-methoxy-5-[4-oxo-3-(2-oxopropyl)pyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide
CID 157394533
2-chloro-4-fluoro-N-[5-(3-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 118617169
2,4-difluoro-N-[5-(3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)-2-(2-methoxyethoxy)-3-pyridinyl]benzenesulfonamide
CID 155031847
2,4-difluoro-N-[2-methoxy-5-[4-oxo-3-(2-piperidin-4-ylethoxy)pyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide
CID 140828753
N-[5-(3-chloro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-2-(3-methoxypropoxy)-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 118616762
7-bromo-3-hydroxypyrido[1,2-a]pyrimidin-4-one;7-bromo-3-(2-methoxyethoxy)pyrido[1,2-a]pyrimidin-4-one;2,4-difluoro-N-[2-methoxy-5-[3-(2-methoxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide
CID 158486194
2-bromo-4-fluoro-N-[2-methoxy-5-[3-(2-methoxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide
CID 118617035
2-methylpropyl N-[3-bromo-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]carbamate
CID 123244029
2,4-difluoro-N-[2-methoxy-5-(3-prop-1-ynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 74763475
2,4-difluoro-N-[5-[3-(2-methoxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-2-(methylamino)-3-pyridinyl]benzenesulfonamide
CID 118617125

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[5-(3-iodoimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[5-(3-iodoimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide (CID 86718346) is 2,4-difluoro-N-[5-(3-iodoimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[5-(3-iodoimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[5-(3-iodoimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide is COc1ncc(-c2ccc3ncc(I)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[5-(3-iodoimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide?
The InChIKey is HQIXFESNZSMEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2IN4O3S/c1-29-19-15(25-30(27,28)16-4-3-13(20)7-14(16)21)6-12(8-24-19)11-2-5-18-23-9-17(22)26(18)10-11/h2-10,25H,1H3.
What are the key properties of 2,4-difluoro-N-[5-(3-iodoimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide?
2,4-difluoro-N-[5-(3-iodoimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide has a molecular weight of 542.31 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[5-(3-iodoimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 86718346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).