6-[(3-chlorophenyl)methyl]-3-(4-methylthiophen-3-yl)imidazo[1,2-b]pyridazine

C18H14ClN3S — CID 143597822

IUPAC6-[(3-chlorophenyl)methyl]-3-(4-methylthiophen-3-yl)imidazo[1,2-b]pyridazine
SMILESCc1cscc1-c1cnc2ccc(Cc3cccc(Cl)c3)nn12
InChIInChI=1S/C18H14ClN3S/c1-12-10-23-11-16(12)17-9-20-18-6-5-15(21-22(17)18)8-13-3-2-4-14(19)7-13/h2-7,9-11H,8H2,1H3
InChIKeyVXBSDTYZFLLQMA-UHFFFAOYSA-N
MW339.85 g/mol
LogP5.01
Rot. Bonds3

About 6-[(3-chlorophenyl)methyl]-3-(4-methylthiophen-3-yl)imidazo[1,2-b]pyridazine

6-[(3-chlorophenyl)methyl]-3-(4-methylthiophen-3-yl)imidazo[1,2-b]pyridazine (PubChem CID 143597822) has the molecular formula C18H14ClN3S and a molecular weight of 339.85 g/mol. Its IUPAC name is 6-[(3-chlorophenyl)methyl]-3-(4-methylthiophen-3-yl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-[(3-chlorophenyl)methyl]-3-(4-methylthiophen-3-yl)imidazo[1,2-b]pyridazine
PubChem CID143597822
Molecular FormulaC18H14ClN3S
Molecular Weight339.85 g/mol
Exact Mass339.06
IUPAC Name6-[(3-chlorophenyl)methyl]-3-(4-methylthiophen-3-yl)imidazo[1,2-b]pyridazine
SMILESCc1cscc1-c1cnc2ccc(Cc3cccc(Cl)c3)nn12
InChIInChI=1S/C18H14ClN3S/c1-12-10-23-11-16(12)17-9-20-18-6-5-15(21-22(17)18)8-13-3-2-4-14(19)7-13/h2-7,9-11H,8H2,1H3
InChIKeyVXBSDTYZFLLQMA-UHFFFAOYSA-N
XLogP5.01
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.85
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-benzodioxol-5-yl)-6-[(3-methylphenyl)methyl]imidazo[1,2-b]pyridazine
CID 71768283
3-bromo-6-[2-(3-chlorophenyl)ethyl]imidazo[1,2-b]pyridazine
CID 143597860
6-[2-(3-chlorophenyl)ethoxy]-3-(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazine
CID 143597765
1-[3-[6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone
CID 155556179
[3-[(3-chlorophenyl)methyl]-1-methylpyrazol-5-yl]methanamine
CID 115092957
3-(3-chlorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine
CID 58857719
2-[(3-chlorophenyl)methyl]-8-methylimidazo[1,2-a]pyridine
CID 117137235
6-(4,4-dimethylpentyl)-3-thiophen-3-ylimidazo[1,2-b]pyridazine
CID 71154376
1-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-one
CID 115091371
2-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)phenyl]ethyl acetate
CID 89494350
3-(3-fluorophenyl)-6-(2-pyridin-3-ylethyl)imidazo[1,2-b]pyridazine
CID 173083961
[2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 61280552

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chlorophenyl)methyl]-3-(4-methylthiophen-3-yl)imidazo[1,2-b]pyridazine?
The IUPAC name of 6-[(3-chlorophenyl)methyl]-3-(4-methylthiophen-3-yl)imidazo[1,2-b]pyridazine (CID 143597822) is 6-[(3-chlorophenyl)methyl]-3-(4-methylthiophen-3-yl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-[(3-chlorophenyl)methyl]-3-(4-methylthiophen-3-yl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-[(3-chlorophenyl)methyl]-3-(4-methylthiophen-3-yl)imidazo[1,2-b]pyridazine is Cc1cscc1-c1cnc2ccc(Cc3cccc(Cl)c3)nn12.
What is the InChIKey of 6-[(3-chlorophenyl)methyl]-3-(4-methylthiophen-3-yl)imidazo[1,2-b]pyridazine?
The InChIKey is VXBSDTYZFLLQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3S/c1-12-10-23-11-16(12)17-9-20-18-6-5-15(21-22(17)18)8-13-3-2-4-14(19)7-13/h2-7,9-11H,8H2,1H3.
What are the key properties of 6-[(3-chlorophenyl)methyl]-3-(4-methylthiophen-3-yl)imidazo[1,2-b]pyridazine?
6-[(3-chlorophenyl)methyl]-3-(4-methylthiophen-3-yl)imidazo[1,2-b]pyridazine has a molecular weight of 339.85 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chlorophenyl)methyl]-3-(4-methylthiophen-3-yl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 143597822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).