1-(2-chloro-6-propoxyimidazo[1,2-b]pyridazin-3-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea

C16H18ClN7O6S — CID 14422335

IUPAC1-(2-chloro-6-propoxyimidazo[1,2-b]pyridazin-3-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea
SMILESCCCOc1ccc2nc(Cl)c(S(=O)(=O)NC(=O)Nc3nc(OC)cc(OC)n3)n2n1
InChIInChI=1S/C16H18ClN7O6S/c1-4-7-30-10-6-5-9-18-13(17)14(24(9)22-10)31(26,27)23-16(25)21-15-19-11(28-2)8-12(20-15)29-3/h5-6,8H,4,7H2,1-3H3,(H2,19,20,21,23,25)
InChIKeySVMXGLFQDYCELH-UHFFFAOYSA-N
MW471.88 g/mol
LogP1.49
Rot. Bonds8

About 1-(2-chloro-6-propoxyimidazo[1,2-b]pyridazin-3-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea

1-(2-chloro-6-propoxyimidazo[1,2-b]pyridazin-3-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea (PubChem CID 14422335) has the molecular formula C16H18ClN7O6S and a molecular weight of 471.88 g/mol. Its IUPAC name is 1-(2-chloro-6-propoxyimidazo[1,2-b]pyridazin-3-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea.

Molecular Properties

Compound Name1-(2-chloro-6-propoxyimidazo[1,2-b]pyridazin-3-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea
PubChem CID14422335
Molecular FormulaC16H18ClN7O6S
Molecular Weight471.88 g/mol
Exact Mass471.07
IUPAC Name1-(2-chloro-6-propoxyimidazo[1,2-b]pyridazin-3-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea
SMILESCCCOc1ccc2nc(Cl)c(S(=O)(=O)NC(=O)Nc3nc(OC)cc(OC)n3)n2n1
InChIInChI=1S/C16H18ClN7O6S/c1-4-7-30-10-6-5-9-18-13(17)14(24(9)22-10)31(26,27)23-16(25)21-15-19-11(28-2)8-12(20-15)29-3/h5-6,8H,4,7H2,1-3H3,(H2,19,20,21,23,25)
InChIKeySVMXGLFQDYCELH-UHFFFAOYSA-N
XLogP1.49
TPSA158.93 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.88
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Related Compounds

1-(3-chloro-1,4-dimethylpyrazol-5-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea
CID 91269857
[3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazol-4-yl] methyl carbonate
CID 22074860
3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylic acid;methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate
CID 155345882
1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylphenyl)sulfonylurea
CID 154343693
2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-6-methoxypyridine-3-carboxylic acid
CID 21273967
1-(4,6-dimethoxypyrimidin-2-yl)-3-[methyl(methylsulfonyl)sulfamoyl]urea
CID 19607508
1-(4,6-dimethoxypyrimidin-2-yl)-3-imidazo[1,2-a]pyridin-3-ylsulfonylurea
CID 14421814
1-[(4-chloro-1,3-thiazol-5-yl)sulfonyl]-3-(4-methoxy-6-methylpyrimidin-2-yl)urea
CID 13228698
ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methoxypyrazole-4-carboxylate
CID 139620302
1-(2-bromoimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea
CID 14421903
1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-[ethyl(methylsulfonyl)amino]-2-pyridinyl]sulfonyl]urea
CID 19977699
2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoate
CID 19418320

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-propoxyimidazo[1,2-b]pyridazin-3-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea?
The IUPAC name of 1-(2-chloro-6-propoxyimidazo[1,2-b]pyridazin-3-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea (CID 14422335) is 1-(2-chloro-6-propoxyimidazo[1,2-b]pyridazin-3-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea.
What is the SMILES notation for 1-(2-chloro-6-propoxyimidazo[1,2-b]pyridazin-3-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea?
The canonical SMILES for 1-(2-chloro-6-propoxyimidazo[1,2-b]pyridazin-3-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea is CCCOc1ccc2nc(Cl)c(S(=O)(=O)NC(=O)Nc3nc(OC)cc(OC)n3)n2n1.
What is the InChIKey of 1-(2-chloro-6-propoxyimidazo[1,2-b]pyridazin-3-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea?
The InChIKey is SVMXGLFQDYCELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN7O6S/c1-4-7-30-10-6-5-9-18-13(17)14(24(9)22-10)31(26,27)23-16(25)21-15-19-11(28-2)8-12(20-15)29-3/h5-6,8H,4,7H2,1-3H3,(H2,19,20,21,23,25).
What are the key properties of 1-(2-chloro-6-propoxyimidazo[1,2-b]pyridazin-3-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea?
1-(2-chloro-6-propoxyimidazo[1,2-b]pyridazin-3-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea has a molecular weight of 471.88 g/mol, XLogP of 1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-propoxyimidazo[1,2-b]pyridazin-3-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea is sourced from PubChem (CID 14422335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).