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

C23H22N6O2 — CID 127034933

IUPAC2-(1,3-benzodioxol-5-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESCN1CCN(c2ccc3nc(-c4ccc5c(c4)OCO5)c(-c4ccncc4)n3n2)CC1
InChIInChI=1S/C23H22N6O2/c1-27-10-12-28(13-11-27)21-5-4-20-25-22(17-2-3-18-19(14-17)31-15-30-18)23(29(20)26-21)16-6-8-24-9-7-16/h2-9,14H,10-13,15H2,1H3
InChIKeyYIIPWHGYGYYCFZ-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.94
Rot. Bonds3

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

2-(1,3-benzodioxol-5-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine (PubChem CID 127034933) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
PubChem CID127034933
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name2-(1,3-benzodioxol-5-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESCN1CCN(c2ccc3nc(-c4ccc5c(c4)OCO5)c(-c4ccncc4)n3n2)CC1
InChIInChI=1S/C23H22N6O2/c1-27-10-12-28(13-11-27)21-5-4-20-25-22(17-2-3-18-19(14-17)31-15-30-18)23(29(20)26-21)16-6-8-24-9-7-16/h2-9,14H,10-13,15H2,1H3
InChIKeyYIIPWHGYGYYCFZ-UHFFFAOYSA-N
XLogP2.94
TPSA68.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine (CID 127034933) is 2-(1,3-benzodioxol-5-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine is CN1CCN(c2ccc3nc(-c4ccc5c(c4)OCO5)c(-c4ccncc4)n3n2)CC1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The InChIKey is YIIPWHGYGYYCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-27-10-12-28(13-11-27)21-5-4-20-25-22(17-2-3-18-19(14-17)31-15-30-18)23(29(20)26-21)16-6-8-24-9-7-16/h2-9,14H,10-13,15H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
2-(1,3-benzodioxol-5-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine has a molecular weight of 414.47 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 127034933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).