3-(3,4-dimethoxyphenyl)-6-pyridin-3-ylimidazo[1,2-b]pyridazine

C19H16N4O2 — CID 90670245

IUPAC3-(3,4-dimethoxyphenyl)-6-pyridin-3-ylimidazo[1,2-b]pyridazine
SMILESCOc1ccc(-c2cnc3ccc(-c4cccnc4)nn23)cc1OC
InChIInChI=1S/C19H16N4O2/c1-24-17-7-5-13(10-18(17)25-2)16-12-21-19-8-6-15(22-23(16)19)14-4-3-9-20-11-14/h3-12H,1-2H3
InChIKeyVEJNTICBEOGLTC-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.48
Rot. Bonds4

About 3-(3,4-dimethoxyphenyl)-6-pyridin-3-ylimidazo[1,2-b]pyridazine

3-(3,4-dimethoxyphenyl)-6-pyridin-3-ylimidazo[1,2-b]pyridazine (PubChem CID 90670245) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-6-pyridin-3-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-6-pyridin-3-ylimidazo[1,2-b]pyridazine
PubChem CID90670245
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name3-(3,4-dimethoxyphenyl)-6-pyridin-3-ylimidazo[1,2-b]pyridazine
SMILESCOc1ccc(-c2cnc3ccc(-c4cccnc4)nn23)cc1OC
InChIInChI=1S/C19H16N4O2/c1-24-17-7-5-13(10-18(17)25-2)16-12-21-19-8-6-15(22-23(16)19)14-4-3-9-20-11-14/h3-12H,1-2H3
InChIKeyVEJNTICBEOGLTC-UHFFFAOYSA-N
XLogP3.48
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-6-pyridin-3-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-6-pyridin-3-ylimidazo[1,2-b]pyridazine (CID 90670245) is 3-(3,4-dimethoxyphenyl)-6-pyridin-3-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-6-pyridin-3-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-6-pyridin-3-ylimidazo[1,2-b]pyridazine is COc1ccc(-c2cnc3ccc(-c4cccnc4)nn23)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-6-pyridin-3-ylimidazo[1,2-b]pyridazine?
The InChIKey is VEJNTICBEOGLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-24-17-7-5-13(10-18(17)25-2)16-12-21-19-8-6-15(22-23(16)19)14-4-3-9-20-11-14/h3-12H,1-2H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-6-pyridin-3-ylimidazo[1,2-b]pyridazine?
3-(3,4-dimethoxyphenyl)-6-pyridin-3-ylimidazo[1,2-b]pyridazine has a molecular weight of 332.36 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-6-pyridin-3-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 90670245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).