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

C24H24N6O2 — CID 127035946

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESCN1CCN(c2ccc3nc(-c4ccc5c(c4)OCCO5)c(-c4ccncc4)n3n2)CC1
InChIInChI=1S/C24H24N6O2/c1-28-10-12-29(13-11-28)22-5-4-21-26-23(18-2-3-19-20(16-18)32-15-14-31-19)24(30(21)27-22)17-6-8-25-9-7-17/h2-9,16H,10-15H2,1H3
InChIKeyHLPMOIBLQACUJJ-UHFFFAOYSA-N
MW428.50 g/mol
LogP2.98
Rot. Bonds3

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

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine (PubChem CID 127035946) 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-6-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
PubChem CID127035946
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESCN1CCN(c2ccc3nc(-c4ccc5c(c4)OCCO5)c(-c4ccncc4)n3n2)CC1
InChIInChI=1S/C24H24N6O2/c1-28-10-12-29(13-11-28)22-5-4-21-26-23(18-2-3-19-20(16-18)32-15-14-31-19)24(30(21)27-22)17-6-8-25-9-7-17/h2-9,16H,10-15H2,1H3
InChIKeyHLPMOIBLQACUJJ-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-6-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-6-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine (CID 127035946) is 2-(2,3-dihydro-1,4-benzodioxin-6-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-6-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-6-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine is CN1CCN(c2ccc3nc(-c4ccc5c(c4)OCCO5)c(-c4ccncc4)n3n2)CC1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The InChIKey is HLPMOIBLQACUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-28-10-12-29(13-11-28)22-5-4-21-26-23(18-2-3-19-20(16-18)32-15-14-31-19)24(30(21)27-22)17-6-8-25-9-7-17/h2-9,16H,10-15H2,1H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
2-(2,3-dihydro-1,4-benzodioxin-6-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-6-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 127035946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).