1-(2-bromoimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea

C14H13BrN6O5S — CID 14421903

IUPAC1-(2-bromoimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea
SMILESCOc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(Br)nc3ccccn23)n1
InChIInChI=1S/C14H13BrN6O5S/c1-25-9-7-10(26-2)18-13(17-9)19-14(22)20-27(23,24)12-11(15)16-8-5-3-4-6-21(8)12/h3-7H,1-2H3,(H2,17,18,19,20,22)
InChIKeyYAIAUOPGOOFUQQ-UHFFFAOYSA-N
MW457.27 g/mol
LogP1.41
Rot. Bonds5

About 1-(2-bromoimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea

1-(2-bromoimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea (PubChem CID 14421903) has the molecular formula C14H13BrN6O5S and a molecular weight of 457.27 g/mol. Its IUPAC name is 1-(2-bromoimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea.

Molecular Properties

Compound Name1-(2-bromoimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea
PubChem CID14421903
Molecular FormulaC14H13BrN6O5S
Molecular Weight457.27 g/mol
Exact Mass455.99
IUPAC Name1-(2-bromoimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea
SMILESCOc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(Br)nc3ccccn23)n1
InChIInChI=1S/C14H13BrN6O5S/c1-25-9-7-10(26-2)18-13(17-9)19-14(22)20-27(23,24)12-11(15)16-8-5-3-4-6-21(8)12/h3-7H,1-2H3,(H2,17,18,19,20,22)
InChIKeyYAIAUOPGOOFUQQ-UHFFFAOYSA-N
XLogP1.41
TPSA136.81 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.27
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]sulfonylurea
CID 14421835
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CID 14421814
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CID 70137416
1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylphenyl)sulfonylurea
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CID 91269857
1-(2-hydroxyphenyl)sulfonyl-3-(4-methoxy-6-methylpyrimidin-2-yl)urea
CID 14774716
[5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazol-4-yl] methyl carbonate
CID 23158784
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CID 3641925
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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea?
The IUPAC name of 1-(2-bromoimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea (CID 14421903) is 1-(2-bromoimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea.
What is the SMILES notation for 1-(2-bromoimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea?
The canonical SMILES for 1-(2-bromoimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea is COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(Br)nc3ccccn23)n1.
What is the InChIKey of 1-(2-bromoimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea?
The InChIKey is YAIAUOPGOOFUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN6O5S/c1-25-9-7-10(26-2)18-13(17-9)19-14(22)20-27(23,24)12-11(15)16-8-5-3-4-6-21(8)12/h3-7H,1-2H3,(H2,17,18,19,20,22).
What are the key properties of 1-(2-bromoimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea?
1-(2-bromoimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea has a molecular weight of 457.27 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea is sourced from PubChem (CID 14421903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).