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

C19H16N4 — CID 54589079

IUPAC3-(3-methylphenyl)-8-(4-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine
SMILESCc1cccc(-c2cnc3c(-c4cnccc4C)ccnn23)c1
InChIInChI=1S/C19H16N4/c1-13-4-3-5-15(10-13)18-12-21-19-16(7-9-22-23(18)19)17-11-20-8-6-14(17)2/h3-12H,1-2H3
InChIKeyMSOFKNRQIXLIOY-UHFFFAOYSA-N
MW300.37 g/mol
LogP4.08
Rot. Bonds2

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

3-(3-methylphenyl)-8-(4-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine (PubChem CID 54589079) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is 3-(3-methylphenyl)-8-(4-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-(3-methylphenyl)-8-(4-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine
PubChem CID54589079
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC Name3-(3-methylphenyl)-8-(4-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine
SMILESCc1cccc(-c2cnc3c(-c4cnccc4C)ccnn23)c1
InChIInChI=1S/C19H16N4/c1-13-4-3-5-15(10-13)18-12-21-19-16(7-9-22-23(18)19)17-11-20-8-6-14(17)2/h3-12H,1-2H3
InChIKeyMSOFKNRQIXLIOY-UHFFFAOYSA-N
XLogP4.08
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-8-(4-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 3-(3-methylphenyl)-8-(4-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine (CID 54589079) is 3-(3-methylphenyl)-8-(4-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-(3-methylphenyl)-8-(4-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-(3-methylphenyl)-8-(4-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine is Cc1cccc(-c2cnc3c(-c4cnccc4C)ccnn23)c1.
What is the InChIKey of 3-(3-methylphenyl)-8-(4-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine?
The InChIKey is MSOFKNRQIXLIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4/c1-13-4-3-5-15(10-13)18-12-21-19-16(7-9-22-23(18)19)17-11-20-8-6-14(17)2/h3-12H,1-2H3.
What are the key properties of 3-(3-methylphenyl)-8-(4-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine?
3-(3-methylphenyl)-8-(4-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine has a molecular weight of 300.37 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-8-(4-methyl-3-pyridinyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 54589079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).