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

C24H24N6O2 — CID 127035682

IUPAC2-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESCN1CCN(c2ccc3nc(-c4cccc5c4OCCO5)c(-c4ccncc4)n3n2)CC1
InChIInChI=1S/C24H24N6O2/c1-28-11-13-29(14-12-28)21-6-5-20-26-22(18-3-2-4-19-24(18)32-16-15-31-19)23(30(20)27-21)17-7-9-25-10-8-17/h2-10H,11-16H2,1H3
InChIKeyKWLALUJSWZSEHQ-UHFFFAOYSA-N
MW428.50 g/mol
LogP2.98
Rot. Bonds3

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

2-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine (PubChem CID 127035682) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
PubChem CID127035682
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESCN1CCN(c2ccc3nc(-c4cccc5c4OCCO5)c(-c4ccncc4)n3n2)CC1
InChIInChI=1S/C24H24N6O2/c1-28-11-13-29(14-12-28)21-6-5-20-26-22(18-3-2-4-19-24(18)32-16-15-31-19)23(30(20)27-21)17-7-9-25-10-8-17/h2-10H,11-16H2,1H3
InChIKeyKWLALUJSWZSEHQ-UHFFFAOYSA-N
XLogP2.98
TPSA68.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine (CID 127035682) is 2-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine is CN1CCN(c2ccc3nc(-c4cccc5c4OCCO5)c(-c4ccncc4)n3n2)CC1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The InChIKey is KWLALUJSWZSEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-28-11-13-29(14-12-28)21-6-5-20-26-22(18-3-2-4-19-24(18)32-16-15-31-19)23(30(20)27-21)17-7-9-25-10-8-17/h2-10H,11-16H2,1H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
2-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine has a molecular weight of 428.50 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 127035682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).