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

C28H28N6O — CID 127034762

IUPAC2-(6-ethoxynaphthalen-1-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESCCOc1ccc2c(-c3nc4ccc(N5CCN(C)CC5)nn4c3-c3ccncc3)cccc2c1
InChIInChI=1S/C28H28N6O/c1-3-35-22-7-8-23-21(19-22)5-4-6-24(23)27-28(20-11-13-29-14-12-20)34-25(30-27)9-10-26(31-34)33-17-15-32(2)16-18-33/h4-14,19H,3,15-18H2,1-2H3
InChIKeyRVTKFEDCJXYAJV-UHFFFAOYSA-N
MW464.57 g/mol
LogP4.76
Rot. Bonds5

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

2-(6-ethoxynaphthalen-1-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine (PubChem CID 127034762) has the molecular formula C28H28N6O and a molecular weight of 464.57 g/mol. Its IUPAC name is 2-(6-ethoxynaphthalen-1-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-(6-ethoxynaphthalen-1-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
PubChem CID127034762
Molecular FormulaC28H28N6O
Molecular Weight464.57 g/mol
Exact Mass464.23
IUPAC Name2-(6-ethoxynaphthalen-1-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESCCOc1ccc2c(-c3nc4ccc(N5CCN(C)CC5)nn4c3-c3ccncc3)cccc2c1
InChIInChI=1S/C28H28N6O/c1-3-35-22-7-8-23-21(19-22)5-4-6-24(23)27-28(20-11-13-29-14-12-20)34-25(30-27)9-10-26(31-34)33-17-15-32(2)16-18-33/h4-14,19H,3,15-18H2,1-2H3
InChIKeyRVTKFEDCJXYAJV-UHFFFAOYSA-N
XLogP4.76
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(6-ethoxynaphthalen-1-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 2-(6-ethoxynaphthalen-1-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine (CID 127034762) is 2-(6-ethoxynaphthalen-1-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-(6-ethoxynaphthalen-1-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 2-(6-ethoxynaphthalen-1-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine is CCOc1ccc2c(-c3nc4ccc(N5CCN(C)CC5)nn4c3-c3ccncc3)cccc2c1.
What is the InChIKey of 2-(6-ethoxynaphthalen-1-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The InChIKey is RVTKFEDCJXYAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O/c1-3-35-22-7-8-23-21(19-22)5-4-6-24(23)27-28(20-11-13-29-14-12-20)34-25(30-27)9-10-26(31-34)33-17-15-32(2)16-18-33/h4-14,19H,3,15-18H2,1-2H3.
What are the key properties of 2-(6-ethoxynaphthalen-1-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
2-(6-ethoxynaphthalen-1-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine has a molecular weight of 464.57 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethoxynaphthalen-1-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 127034762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).