6-(1-fluoro-2-methylpropan-2-yl)sulfonyl-3-iodo-7-methoxyimidazo[1,2-a]pyridine

C12H14FIN2O3S — CID 170434872

IUPAC6-(1-fluoro-2-methylpropan-2-yl)sulfonyl-3-iodo-7-methoxyimidazo[1,2-a]pyridine
SMILESCOc1cc2ncc(I)n2cc1S(=O)(=O)C(C)(C)CF
InChIInChI=1S/C12H14FIN2O3S/c1-12(2,7-13)20(17,18)9-6-16-10(14)5-15-11(16)4-8(9)19-3/h4-6H,7H2,1-3H3
InChIKeyIDDPTEFWICCWJL-UHFFFAOYSA-N
MW412.22 g/mol
LogP2.47
Rot. Bonds4

About 6-(1-fluoro-2-methylpropan-2-yl)sulfonyl-3-iodo-7-methoxyimidazo[1,2-a]pyridine

6-(1-fluoro-2-methylpropan-2-yl)sulfonyl-3-iodo-7-methoxyimidazo[1,2-a]pyridine (PubChem CID 170434872) has the molecular formula C12H14FIN2O3S and a molecular weight of 412.22 g/mol. Its IUPAC name is 6-(1-fluoro-2-methylpropan-2-yl)sulfonyl-3-iodo-7-methoxyimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-(1-fluoro-2-methylpropan-2-yl)sulfonyl-3-iodo-7-methoxyimidazo[1,2-a]pyridine
PubChem CID170434872
Molecular FormulaC12H14FIN2O3S
Molecular Weight412.22 g/mol
Exact Mass411.98
IUPAC Name6-(1-fluoro-2-methylpropan-2-yl)sulfonyl-3-iodo-7-methoxyimidazo[1,2-a]pyridine
SMILESCOc1cc2ncc(I)n2cc1S(=O)(=O)C(C)(C)CF
InChIInChI=1S/C12H14FIN2O3S/c1-12(2,7-13)20(17,18)9-6-16-10(14)5-15-11(16)4-8(9)19-3/h4-6H,7H2,1-3H3
InChIKeyIDDPTEFWICCWJL-UHFFFAOYSA-N
XLogP2.47
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.22
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(1-fluoro-2-methylpropan-2-yl)sulfonyl-3-iodo-7-methoxyimidazo[1,2-a]pyridine 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 6-(1-fluoro-2-methylpropan-2-yl)sulfonyl-3-iodo-7-methoxyimidazo[1,2-a]pyridine?
The IUPAC name of 6-(1-fluoro-2-methylpropan-2-yl)sulfonyl-3-iodo-7-methoxyimidazo[1,2-a]pyridine (CID 170434872) is 6-(1-fluoro-2-methylpropan-2-yl)sulfonyl-3-iodo-7-methoxyimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-(1-fluoro-2-methylpropan-2-yl)sulfonyl-3-iodo-7-methoxyimidazo[1,2-a]pyridine?
The canonical SMILES for 6-(1-fluoro-2-methylpropan-2-yl)sulfonyl-3-iodo-7-methoxyimidazo[1,2-a]pyridine is COc1cc2ncc(I)n2cc1S(=O)(=O)C(C)(C)CF.
What is the InChIKey of 6-(1-fluoro-2-methylpropan-2-yl)sulfonyl-3-iodo-7-methoxyimidazo[1,2-a]pyridine?
The InChIKey is IDDPTEFWICCWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FIN2O3S/c1-12(2,7-13)20(17,18)9-6-16-10(14)5-15-11(16)4-8(9)19-3/h4-6H,7H2,1-3H3.
What are the key properties of 6-(1-fluoro-2-methylpropan-2-yl)sulfonyl-3-iodo-7-methoxyimidazo[1,2-a]pyridine?
6-(1-fluoro-2-methylpropan-2-yl)sulfonyl-3-iodo-7-methoxyimidazo[1,2-a]pyridine has a molecular weight of 412.22 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-fluoro-2-methylpropan-2-yl)sulfonyl-3-iodo-7-methoxyimidazo[1,2-a]pyridine is sourced from PubChem (CID 170434872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).