5-fluoro-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methyl-2λ6,1,3-benzothiadiazole 2,2-dioxide

C15H13FN4O2S — CID 122161293

IUPAC5-fluoro-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methyl-2λ6,1,3-benzothiadiazole 2,2-dioxide
SMILESCN1c2ccc(F)cc2N(Cc2cn3ccccc3n2)S1(=O)=O
InChIInChI=1S/C15H13FN4O2S/c1-18-13-6-5-11(16)8-14(13)20(23(18,21)22)10-12-9-19-7-3-2-4-15(19)17-12/h2-9H,10H2,1H3
InChIKeyOHTKKRLTEHQQAT-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.17
Rot. Bonds2

About 5-fluoro-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methyl-2λ6,1,3-benzothiadiazole 2,2-dioxide

5-fluoro-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methyl-2λ6,1,3-benzothiadiazole 2,2-dioxide (PubChem CID 122161293) has the molecular formula C15H13FN4O2S and a molecular weight of 332.36 g/mol. Its IUPAC name is 5-fluoro-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methyl-2λ6,1,3-benzothiadiazole 2,2-dioxide.

Molecular Properties

Compound Name5-fluoro-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methyl-2λ6,1,3-benzothiadiazole 2,2-dioxide
PubChem CID122161293
Molecular FormulaC15H13FN4O2S
Molecular Weight332.36 g/mol
Exact Mass332.07
IUPAC Name5-fluoro-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methyl-2λ6,1,3-benzothiadiazole 2,2-dioxide
SMILESCN1c2ccc(F)cc2N(Cc2cn3ccccc3n2)S1(=O)=O
InChIInChI=1S/C15H13FN4O2S/c1-18-13-6-5-11(16)8-14(13)20(23(18,21)22)10-12-9-19-7-3-2-4-15(19)17-12/h2-9H,10H2,1H3
InChIKeyOHTKKRLTEHQQAT-UHFFFAOYSA-N
XLogP2.17
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methyl-2λ6,1,3-benzothiadiazole 2,2-dioxide with MolForge

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Related Compounds

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imidazo[1,2-a]pyridin-2-ylmethyl 2-amino-5-fluorobenzoate
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imidazo[1,2-a]pyridin-2-ylmethylazanium
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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methyl-2λ6,1,3-benzothiadiazole 2,2-dioxide?
The IUPAC name of 5-fluoro-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methyl-2λ6,1,3-benzothiadiazole 2,2-dioxide (CID 122161293) is 5-fluoro-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methyl-2λ6,1,3-benzothiadiazole 2,2-dioxide.
What is the SMILES notation for 5-fluoro-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methyl-2λ6,1,3-benzothiadiazole 2,2-dioxide?
The canonical SMILES for 5-fluoro-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methyl-2λ6,1,3-benzothiadiazole 2,2-dioxide is CN1c2ccc(F)cc2N(Cc2cn3ccccc3n2)S1(=O)=O.
What is the InChIKey of 5-fluoro-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methyl-2λ6,1,3-benzothiadiazole 2,2-dioxide?
The InChIKey is OHTKKRLTEHQQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2S/c1-18-13-6-5-11(16)8-14(13)20(23(18,21)22)10-12-9-19-7-3-2-4-15(19)17-12/h2-9H,10H2,1H3.
What are the key properties of 5-fluoro-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methyl-2λ6,1,3-benzothiadiazole 2,2-dioxide?
5-fluoro-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methyl-2λ6,1,3-benzothiadiazole 2,2-dioxide has a molecular weight of 332.36 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methyl-2λ6,1,3-benzothiadiazole 2,2-dioxide is sourced from PubChem (CID 122161293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).