3-(3,5-dimethylphenyl)-8-(4-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine

C20H18N4 — CID 54589241

IUPAC3-(3,5-dimethylphenyl)-8-(4-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine
SMILESCc1cc(C)cc(-c2cnc3c(-c4cnccc4C)ccnn23)c1
InChIInChI=1S/C20H18N4/c1-13-8-14(2)10-16(9-13)19-12-22-20-17(5-7-23-24(19)20)18-11-21-6-4-15(18)3/h4-12H,1-3H3
InChIKeyATOHBIFTAUBIMF-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.38
Rot. Bonds2

About 3-(3,5-dimethylphenyl)-8-(4-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine

3-(3,5-dimethylphenyl)-8-(4-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine (PubChem CID 54589241) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-8-(4-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-8-(4-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine
PubChem CID54589241
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC Name3-(3,5-dimethylphenyl)-8-(4-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine
SMILESCc1cc(C)cc(-c2cnc3c(-c4cnccc4C)ccnn23)c1
InChIInChI=1S/C20H18N4/c1-13-8-14(2)10-16(9-13)19-12-22-20-17(5-7-23-24(19)20)18-11-21-6-4-15(18)3/h4-12H,1-3H3
InChIKeyATOHBIFTAUBIMF-UHFFFAOYSA-N
XLogP4.38
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-8-(4-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 3-(3,5-dimethylphenyl)-8-(4-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine (CID 54589241) is 3-(3,5-dimethylphenyl)-8-(4-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-8-(4-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-(3,5-dimethylphenyl)-8-(4-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine is Cc1cc(C)cc(-c2cnc3c(-c4cnccc4C)ccnn23)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-8-(4-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine?
The InChIKey is ATOHBIFTAUBIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4/c1-13-8-14(2)10-16(9-13)19-12-22-20-17(5-7-23-24(19)20)18-11-21-6-4-15(18)3/h4-12H,1-3H3.
What are the key properties of 3-(3,5-dimethylphenyl)-8-(4-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine?
3-(3,5-dimethylphenyl)-8-(4-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine has a molecular weight of 314.39 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-8-(4-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 54589241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).