3-(1,3-benzodioxol-5-yl)-6-pyridin-4-ylimidazo[1,2-b]pyridazine

C18H12N4O2 — CID 146315974

IUPAC3-(1,3-benzodioxol-5-yl)-6-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESc1cc(-c2ccc3ncc(-c4ccc5c(c4)OCO5)n3n2)ccn1
InChIInChI=1S/C18H12N4O2/c1-3-16-17(24-11-23-16)9-13(1)15-10-20-18-4-2-14(21-22(15)18)12-5-7-19-8-6-12/h1-10H,11H2
InChIKeyUWRNLZQXXMEJDK-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.19
Rot. Bonds2

About 3-(1,3-benzodioxol-5-yl)-6-pyridin-4-ylimidazo[1,2-b]pyridazine

3-(1,3-benzodioxol-5-yl)-6-pyridin-4-ylimidazo[1,2-b]pyridazine (PubChem CID 146315974) has the molecular formula C18H12N4O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-6-pyridin-4-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-6-pyridin-4-ylimidazo[1,2-b]pyridazine
PubChem CID146315974
Molecular FormulaC18H12N4O2
Molecular Weight316.32 g/mol
Exact Mass316.10
IUPAC Name3-(1,3-benzodioxol-5-yl)-6-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESc1cc(-c2ccc3ncc(-c4ccc5c(c4)OCO5)n3n2)ccn1
InChIInChI=1S/C18H12N4O2/c1-3-16-17(24-11-23-16)9-13(1)15-10-20-18-4-2-14(21-22(15)18)12-5-7-19-8-6-12/h1-10H,11H2
InChIKeyUWRNLZQXXMEJDK-UHFFFAOYSA-N
XLogP3.19
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol
CID 135316044
3-(1,3-benzodioxol-5-yl)-6-pyridin-4-ylimidazo[1,2-a]pyrazine
CID 146316041
3-(6-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl)phenol
CID 126672883
3-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 126470014
3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-N-(2-hydroxyethyl)benzamide
CID 135316062
4-[4-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]morpholine
CID 90670266
3-(1,3-benzodioxol-5-yl)-6-[(3-methylphenyl)methyl]imidazo[1,2-b]pyridazine
CID 71768283
3-(1,3-benzodioxol-5-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
CID 126473754
3-[4-[(3-fluoroazetidin-1-yl)methyl]phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 146316110
N-(1,3-benzodioxol-5-yl)-2-[(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide
CID 7217744
N-(1,3-benzodioxol-5-ylmethyl)-3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-amine
CID 126471750
3-(3-aminophenyl)-N-(1,3-benzodioxol-5-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 126470424

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-6-pyridin-4-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-6-pyridin-4-ylimidazo[1,2-b]pyridazine (CID 146315974) is 3-(1,3-benzodioxol-5-yl)-6-pyridin-4-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-6-pyridin-4-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-6-pyridin-4-ylimidazo[1,2-b]pyridazine is c1cc(-c2ccc3ncc(-c4ccc5c(c4)OCO5)n3n2)ccn1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-6-pyridin-4-ylimidazo[1,2-b]pyridazine?
The InChIKey is UWRNLZQXXMEJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O2/c1-3-16-17(24-11-23-16)9-13(1)15-10-20-18-4-2-14(21-22(15)18)12-5-7-19-8-6-12/h1-10H,11H2.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-6-pyridin-4-ylimidazo[1,2-b]pyridazine?
3-(1,3-benzodioxol-5-yl)-6-pyridin-4-ylimidazo[1,2-b]pyridazine has a molecular weight of 316.32 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-6-pyridin-4-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 146315974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).