6-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine

C18H17N5O2S — CID 118711413

IUPAC6-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine
SMILESCOc1ccc(OC)c(Sc2ccc3ncc(-c4cnn(C)c4)n3n2)c1
InChIInChI=1S/C18H17N5O2S/c1-22-11-12(9-20-22)14-10-19-17-6-7-18(21-23(14)17)26-16-8-13(24-2)4-5-15(16)25-3/h4-11H,1-3H3
InChIKeyJCYIJNNJXPQREM-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.30
Rot. Bonds5

About 6-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine

6-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine (PubChem CID 118711413) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is 6-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine
PubChem CID118711413
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC Name6-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine
SMILESCOc1ccc(OC)c(Sc2ccc3ncc(-c4cnn(C)c4)n3n2)c1
InChIInChI=1S/C18H17N5O2S/c1-22-11-12(9-20-22)14-10-19-17-6-7-18(21-23(14)17)26-16-8-13(24-2)4-5-15(16)25-3/h4-11H,1-3H3
InChIKeyJCYIJNNJXPQREM-UHFFFAOYSA-N
XLogP3.30
TPSA66.47 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-[(2,5-Dimethoxyphenyl)sulfanyl]-3-(1-Methyl-1h-Pyrazol-4-Yl)[1,2,4]triazolo[4,3-B]pyridazine
CID 77068229
3-[(4-Methoxyphenyl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine
CID 70677533
6-(2,5-Dimethoxyphenyl)sulfanyl-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 118711382
6-(2,5-Dimethoxyphenyl)sulfanyl-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 118711383
6-(2,5-Dimethoxyphenyl)sulfanyl-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 118711384
6-(2,5-Dimethoxyphenyl)sulfanyl-3-pyrazin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 118711385
6-(2,5-Dimethoxyphenyl)sulfanyl-3-(5-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 118711386
3-[6-(2,5-Dimethoxyphenyl)sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-thiazole
CID 118711392
5-[6-(2,5-Dimethoxyphenyl)sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole
CID 118711393
6-(2,5-Dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 118711394
6-(2,5-Dimethoxyphenyl)sulfanyl-3-(1,3-dimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 118711395
4-Methoxy-3-[[3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]benzonitrile
CID 118711398

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine?
The IUPAC name of 6-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine (CID 118711413) is 6-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine is COc1ccc(OC)c(Sc2ccc3ncc(-c4cnn(C)c4)n3n2)c1.
What is the InChIKey of 6-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine?
The InChIKey is JCYIJNNJXPQREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-22-11-12(9-20-22)14-10-19-17-6-7-18(21-23(14)17)26-16-8-13(24-2)4-5-15(16)25-3/h4-11H,1-3H3.
What are the key properties of 6-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine?
6-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine has a molecular weight of 367.43 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 118711413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).