2-(4-ethoxyphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine

C17H19N3OS — CID 11358907

IUPAC2-(4-ethoxyphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine
SMILESCCCSc1ccc2nc(-c3ccc(OCC)cc3)cn2n1
InChIInChI=1S/C17H19N3OS/c1-3-11-22-17-10-9-16-18-15(12-20(16)19-17)13-5-7-14(8-6-13)21-4-2/h5-10,12H,3-4,11H2,1-2H3
InChIKeyAXEKFGOMKANTMC-UHFFFAOYSA-N
MW313.43 g/mol
LogP4.30
Rot. Bonds6

About 2-(4-ethoxyphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine

2-(4-ethoxyphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine (PubChem CID 11358907) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine
PubChem CID11358907
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name2-(4-ethoxyphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine
SMILESCCCSc1ccc2nc(-c3ccc(OCC)cc3)cn2n1
InChIInChI=1S/C17H19N3OS/c1-3-11-22-17-10-9-16-18-15(12-20(16)19-17)13-5-7-14(8-6-13)21-4-2/h5-10,12H,3-4,11H2,1-2H3
InChIKeyAXEKFGOMKANTMC-UHFFFAOYSA-N
XLogP4.30
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Taletrectinib
CID 72202474
2-(4-Ethoxyphenyl)imidazo[1,2-a]pyridine
CID 720519
2-(4-Propoxyphenyl)imidazo[1,2-a]pyridine
CID 2876085
3,6-Bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine
CID 134179384
Ibtrozi
CID 154699459
7-[4-(3-Fluoropropoxy)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine
CID 3692931
2-(4-Methoxyphenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine
CID 624456
6-(4-methoxyphenyl)-3-(pyridin-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 663229
3-(4-Ethoxyphenyl)-6-(methylthio)-[1,2,4]triazolo[4,3-b]pyridazine
CID 3241878
Dimethyl-{3-[4-(8-methyl-imidazo[1,2-a]pyridin-2-yl)-phenoxy]-propyl}-amine
CID 9839643
Dibutyl-{3-[4-(8-methyl-imidazo[1,2-a]pyridin-2-yl)-phenoxy]-propyl}-amine
CID 9865378
2-(4-Piperidinopropoxyphenyl)-8-methylimidazo[1,2-a]pyridine
CID 9902971

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine?
The IUPAC name of 2-(4-ethoxyphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine (CID 11358907) is 2-(4-ethoxyphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-(4-ethoxyphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine?
The canonical SMILES for 2-(4-ethoxyphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine is CCCSc1ccc2nc(-c3ccc(OCC)cc3)cn2n1.
What is the InChIKey of 2-(4-ethoxyphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine?
The InChIKey is AXEKFGOMKANTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-3-11-22-17-10-9-16-18-15(12-20(16)19-17)13-5-7-14(8-6-13)21-4-2/h5-10,12H,3-4,11H2,1-2H3.
What are the key properties of 2-(4-ethoxyphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine?
2-(4-ethoxyphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine has a molecular weight of 313.43 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 11358907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).