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

C19H19N5O2S — CID 118711418

IUPAC6-(2,5-dimethoxyphenyl)sulfanyl-2-methyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine
SMILESCOc1ccc(OC)c(Sc2ccc3nc(C)c(-c4cnn(C)c4)n3n2)c1
InChIInChI=1S/C19H19N5O2S/c1-12-19(13-10-20-23(2)11-13)24-17(21-12)7-8-18(22-24)27-16-9-14(25-3)5-6-15(16)26-4/h5-11H,1-4H3
InChIKeyBKKOZLDYSVFAJU-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.61
Rot. Bonds5

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

6-(2,5-dimethoxyphenyl)sulfanyl-2-methyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine (PubChem CID 118711418) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 6-(2,5-dimethoxyphenyl)sulfanyl-2-methyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-(2,5-dimethoxyphenyl)sulfanyl-2-methyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine
PubChem CID118711418
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name6-(2,5-dimethoxyphenyl)sulfanyl-2-methyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine
SMILESCOc1ccc(OC)c(Sc2ccc3nc(C)c(-c4cnn(C)c4)n3n2)c1
InChIInChI=1S/C19H19N5O2S/c1-12-19(13-10-20-23(2)11-13)24-17(21-12)7-8-18(22-24)27-16-9-14(25-3)5-6-15(16)26-4/h5-11H,1-4H3
InChIKeyBKKOZLDYSVFAJU-UHFFFAOYSA-N
XLogP3.61
TPSA66.47 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

CID 77068229
CID 77068229
CID 11302780
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CID 11372173
CID 11372173
CID 11739416
CID 11739416
CID 56683458
CID 56683458
CID 70677533
CID 70677533
CID 118711382
CID 118711382
CID 118711383
CID 118711383
CID 118711384
CID 118711384
CID 118711385
CID 118711385
CID 118711386
CID 118711386
CID 118711393
CID 118711393

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethoxyphenyl)sulfanyl-2-methyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine?
The IUPAC name of 6-(2,5-dimethoxyphenyl)sulfanyl-2-methyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine (CID 118711418) is 6-(2,5-dimethoxyphenyl)sulfanyl-2-methyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-(2,5-dimethoxyphenyl)sulfanyl-2-methyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-(2,5-dimethoxyphenyl)sulfanyl-2-methyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine is COc1ccc(OC)c(Sc2ccc3nc(C)c(-c4cnn(C)c4)n3n2)c1.
What is the InChIKey of 6-(2,5-dimethoxyphenyl)sulfanyl-2-methyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine?
The InChIKey is BKKOZLDYSVFAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-12-19(13-10-20-23(2)11-13)24-17(21-12)7-8-18(22-24)27-16-9-14(25-3)5-6-15(16)26-4/h5-11H,1-4H3.
What are the key properties of 6-(2,5-dimethoxyphenyl)sulfanyl-2-methyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine?
6-(2,5-dimethoxyphenyl)sulfanyl-2-methyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine has a molecular weight of 381.46 g/mol, XLogP of 3.61, 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-2-methyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 118711418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).