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

C23H22F2N6 — CID 25143969

IUPAC2-(3,5-difluorophenyl)-6-(3,3-dimethylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESCC1(C)CN(c2ccc3nc(-c4cc(F)cc(F)c4)c(-c4ccncc4)n3n2)CCN1
InChIInChI=1S/C23H22F2N6/c1-23(2)14-30(10-9-27-23)20-4-3-19-28-21(16-11-17(24)13-18(25)12-16)22(31(19)29-20)15-5-7-26-8-6-15/h3-8,11-13,27H,9-10,14H2,1-2H3
InChIKeyVLWILZFJMAJJFY-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.92
Rot. Bonds3

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

2-(3,5-difluorophenyl)-6-(3,3-dimethylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine (PubChem CID 25143969) has the molecular formula C23H22F2N6 and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-6-(3,3-dimethylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-6-(3,3-dimethylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
PubChem CID25143969
Molecular FormulaC23H22F2N6
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC Name2-(3,5-difluorophenyl)-6-(3,3-dimethylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESCC1(C)CN(c2ccc3nc(-c4cc(F)cc(F)c4)c(-c4ccncc4)n3n2)CCN1
InChIInChI=1S/C23H22F2N6/c1-23(2)14-30(10-9-27-23)20-4-3-19-28-21(16-11-17(24)13-18(25)12-16)22(31(19)29-20)15-5-7-26-8-6-15/h3-8,11-13,27H,9-10,14H2,1-2H3
InChIKeyVLWILZFJMAJJFY-UHFFFAOYSA-N
XLogP3.92
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-6-(3,3-dimethylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 2-(3,5-difluorophenyl)-6-(3,3-dimethylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine (CID 25143969) is 2-(3,5-difluorophenyl)-6-(3,3-dimethylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-6-(3,3-dimethylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 2-(3,5-difluorophenyl)-6-(3,3-dimethylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine is CC1(C)CN(c2ccc3nc(-c4cc(F)cc(F)c4)c(-c4ccncc4)n3n2)CCN1.
What is the InChIKey of 2-(3,5-difluorophenyl)-6-(3,3-dimethylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The InChIKey is VLWILZFJMAJJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N6/c1-23(2)14-30(10-9-27-23)20-4-3-19-28-21(16-11-17(24)13-18(25)12-16)22(31(19)29-20)15-5-7-26-8-6-15/h3-8,11-13,27H,9-10,14H2,1-2H3.
What are the key properties of 2-(3,5-difluorophenyl)-6-(3,3-dimethylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
2-(3,5-difluorophenyl)-6-(3,3-dimethylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine has a molecular weight of 420.47 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-6-(3,3-dimethylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 25143969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).