6-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine

C20H16ClN3O2 — CID 155539504

IUPAC6-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine
SMILESCOc1ccc(-c2cnc3ccc(-c4cccc(Cl)c4)nn23)cc1OC
InChIInChI=1S/C20H16ClN3O2/c1-25-18-8-6-14(11-19(18)26-2)17-12-22-20-9-7-16(23-24(17)20)13-4-3-5-15(21)10-13/h3-12H,1-2H3
InChIKeyUMYXXPSEPHSANS-UHFFFAOYSA-N
MW365.82 g/mol
LogP4.73
Rot. Bonds4

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

6-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine (PubChem CID 155539504) has the molecular formula C20H16ClN3O2 and a molecular weight of 365.82 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine
PubChem CID155539504
Molecular FormulaC20H16ClN3O2
Molecular Weight365.82 g/mol
Exact Mass365.09
IUPAC Name6-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine
SMILESCOc1ccc(-c2cnc3ccc(-c4cccc(Cl)c4)nn23)cc1OC
InChIInChI=1S/C20H16ClN3O2/c1-25-18-8-6-14(11-19(18)26-2)17-12-22-20-9-7-16(23-24(17)20)13-4-3-5-15(21)10-13/h3-12H,1-2H3
InChIKeyUMYXXPSEPHSANS-UHFFFAOYSA-N
XLogP4.73
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 6-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine (CID 155539504) is 6-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine is COc1ccc(-c2cnc3ccc(-c4cccc(Cl)c4)nn23)cc1OC.
What is the InChIKey of 6-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine?
The InChIKey is UMYXXPSEPHSANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2/c1-25-18-8-6-14(11-19(18)26-2)17-12-22-20-9-7-16(23-24(17)20)13-4-3-5-15(21)10-13/h3-12H,1-2H3.
What are the key properties of 6-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine?
6-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine has a molecular weight of 365.82 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 155539504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).