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

C25H28N6 — CID 25143967

IUPAC2-(3,5-dimethylphenyl)-6-(3,3-dimethylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESCc1cc(C)cc(-c2nc3ccc(N4CCNC(C)(C)C4)nn3c2-c2ccncc2)c1
InChIInChI=1S/C25H28N6/c1-17-13-18(2)15-20(14-17)23-24(19-7-9-26-10-8-19)31-21(28-23)5-6-22(29-31)30-12-11-27-25(3,4)16-30/h5-10,13-15,27H,11-12,16H2,1-4H3
InChIKeyUUTJRZYKEQWDLF-UHFFFAOYSA-N
MW412.54 g/mol
LogP4.26
Rot. Bonds3

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

2-(3,5-dimethylphenyl)-6-(3,3-dimethylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine (PubChem CID 25143967) has the molecular formula C25H28N6 and a molecular weight of 412.54 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-6-(3,3-dimethylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-6-(3,3-dimethylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
PubChem CID25143967
Molecular FormulaC25H28N6
Molecular Weight412.54 g/mol
Exact Mass412.24
IUPAC Name2-(3,5-dimethylphenyl)-6-(3,3-dimethylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESCc1cc(C)cc(-c2nc3ccc(N4CCNC(C)(C)C4)nn3c2-c2ccncc2)c1
InChIInChI=1S/C25H28N6/c1-17-13-18(2)15-20(14-17)23-24(19-7-9-26-10-8-19)31-21(28-23)5-6-22(29-31)30-12-11-27-25(3,4)16-30/h5-10,13-15,27H,11-12,16H2,1-4H3
InChIKeyUUTJRZYKEQWDLF-UHFFFAOYSA-N
XLogP4.26
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-6-(3,3-dimethylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 2-(3,5-dimethylphenyl)-6-(3,3-dimethylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine (CID 25143967) is 2-(3,5-dimethylphenyl)-6-(3,3-dimethylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-6-(3,3-dimethylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 2-(3,5-dimethylphenyl)-6-(3,3-dimethylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine is Cc1cc(C)cc(-c2nc3ccc(N4CCNC(C)(C)C4)nn3c2-c2ccncc2)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-6-(3,3-dimethylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The InChIKey is UUTJRZYKEQWDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6/c1-17-13-18(2)15-20(14-17)23-24(19-7-9-26-10-8-19)31-21(28-23)5-6-22(29-31)30-12-11-27-25(3,4)16-30/h5-10,13-15,27H,11-12,16H2,1-4H3.
What are the key properties of 2-(3,5-dimethylphenyl)-6-(3,3-dimethylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
2-(3,5-dimethylphenyl)-6-(3,3-dimethylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine has a molecular weight of 412.54 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-6-(3,3-dimethylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 25143967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).